AG005KFA

702675-74-9 | N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide

AG005KFA

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CAS Number	702675-74-9
Catalog Number	AG005KFA(AGN-PC-0MYDE4)
Chemical Name	N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide
IUPAC Name	N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
InChI	InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
InChI Key	VAVXGGRQQJZYBL-UHFFFAOYSA-N
MDL Number	MFCD12546134
Molecular Formula	C23H26IN7O2S
Molecular Weight	591.4677
SMILES	O=C(NCCCNC1=C(C=NC(NC2=CC=CC(NC(N3CCCC3)=O)=C2)=N1)I)C4=CC=CS4
Synonyms	BX-795, BX795, 702675-74-9, BX795, BX-795, BX 795, N-[3-[[5-IODO-4-[[3-[(2-THIENYLCARBONYL)AMINO]PROPYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE, N-(3-(5-iodo-4-(3-(thiophene-2-carboxamido)propylamino)pyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide, N-(3-{[5-Iodo-4-({3-[(Thiophen-2-Ylcarbonyl)amino]propyl}amino)pyrimidin-2-Yl]amino}phenyl)pyrrolidine-1-Carboxamide, C23H26IN7O2S, N-(3-((5-iodo-4-((3-(thiophene-2-carboxamido)propyl)amino)pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide, N-(3-(4-(3-(Thiophene-2-carbonylamino)propylamino)-5-iodopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide, N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide, N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide, BX7, MLS006011190, CHEMBL577784, GTPL8006, SCHEMBL3865995, BDBM17051, CHEBI:91439, CTK8F0009, AOB2187, DTXSID50435186, EX-A262, SYN1026, BCPP000310, HMS3244G15, HMS3244G16, HMS3244H15, HMS3651A07, BCP01899, KS-00000XP1, ZINC3986669, 2292AH, ABP000488, BX795/BX-795, MFCD12546134, RS0069, s1274, AKOS016369934, BX795/BX-795/, BCP9000467, CS-0259, SB13079, NCGC00250386-01, NCGC00250386-02, 4CA-0331, AK-43745, AN-16858, AS-16196, BC623070, HY-10514, SMR004702959, BCP0726000131, BX-795, 3, RT-011842, FT-0700352, SW208681-3, W-5531, 675I749, J-522980, BRD-K47983010-001-01-3, BX795;BX 795;702675-74-9, N-(3-(4-(2-(2-Formamidothiophen-3-yl)propanamido)-5-iodopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide, N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-, Pyrrolidine-1-carboxylic acid [3-(5-iodo-4-{3-[(thiophene-2-carbonyl)-amino]-propylamino}-pyrimidin-2-ylamino)-phenyl]-amide, D0RG0Z, cc-617, ACN-039832, CID10077147, CID 10077147, A8222, A11148, 702675-42-1,

Complexity	669
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	591.091g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	591.472g/mol
Monoisotopic Mass	591.091g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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