2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide

C78H82F6N20O9S3 — CID 159128351

IUPAC2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N(C)C)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(C)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1F
InChIInChI=1S/2C27H29F2N7O3S.C24H24F2N6O3S/c1-3-12-40(38,39)34-21-6-5-20(28)24(25(21)29)27(37)32-19-13-18-14-22(33-26(18)31-16-19)17-4-7-23(30-15-17)36-10-8-35(2)9-11-36;1-3-12-40(38,39)34-21-5-4-20(28)24(25(21)29)27(37)32-19-13-18-14-22(33-26(18)31-16-19)17-6-7-30-23(15-17)36-10-8-35(2)9-11-36;1-4-9-36(34,35)31-18-7-6-17(25)21(22(18)26)24(33)29-16-10-15-11-19(30-23(15)28-13-16)14-5-8-20(27-12-14)32(2)3/h2*4-7,13-16,34H,3,8-12H2,1-2H3,(H,31,33)(H,32,37);5-8,10-13,31H,4,9H2,1-3H3,(H,28,30)(H,29,33)
InChIKeyKGOGPKHNOSCIBD-UHFFFAOYSA-N
MW1653.83 g/mol
LogP12.49
Rot. Bonds24

About 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide

2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide (PubChem CID 159128351) has the molecular formula C78H82F6N20O9S3 and a molecular weight of 1653.83 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
PubChem CID159128351
Molecular FormulaC78H82F6N20O9S3
Molecular Weight1653.83 g/mol
Exact Mass1652.56
IUPAC Name2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N(C)C)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(C)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1F
InChIInChI=1S/2C27H29F2N7O3S.C24H24F2N6O3S/c1-3-12-40(38,39)34-21-6-5-20(28)24(25(21)29)27(37)32-19-13-18-14-22(33-26(18)31-16-19)17-4-7-23(30-15-17)36-10-8-35(2)9-11-36;1-3-12-40(38,39)34-21-5-4-20(28)24(25(21)29)27(37)32-19-13-18-14-22(33-26(18)31-16-19)17-6-7-30-23(15-17)36-10-8-35(2)9-11-36;1-4-9-36(34,35)31-18-7-6-17(25)21(22(18)26)24(33)29-16-10-15-11-19(30-23(15)28-13-16)14-5-8-20(27-12-14)32(2)3/h2*4-7,13-16,34H,3,8-12H2,1-2H3,(H,31,33)(H,32,37);5-8,10-13,31H,4,9H2,1-3H3,(H,28,30)(H,29,33)
InChIKeyKGOGPKHNOSCIBD-UHFFFAOYSA-N
XLogP12.49
TPSA366.72 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001653.83
LogP ≤ 512.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide with MolForge

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Related Compounds

2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
2,6-difluoro-3-(propylsulfonamido)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44199408
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223675
2,6-difluoro-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230849
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 44230853
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 44230854
2,6-difluoro-N-(2-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230986
2,6-difluoro-N-(2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide
CID 44230987
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
CID 44230990
2,6-difluoro-N-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
CID 44231246
2,6-difluoro-N-[2-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
CID 44231722

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide (CID 159128351) is 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N(C)C)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(C)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccnc(N5CCN(C)CC5)c4)cc3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?
The InChIKey is KGOGPKHNOSCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29F2N7O3S.C24H24F2N6O3S/c1-3-12-40(38,39)34-21-6-5-20(28)24(25(21)29)27(37)32-19-13-18-14-22(33-26(18)31-16-19)17-4-7-23(30-15-17)36-10-8-35(2)9-11-36;1-3-12-40(38,39)34-21-5-4-20(28)24(25(21)29)27(37)32-19-13-18-14-22(33-26(18)31-16-19)17-6-7-30-23(15-17)36-10-8-35(2)9-11-36;1-4-9-36(34,35)31-18-7-6-17(25)21(22(18)26)24(33)29-16-10-15-11-19(30-23(15)28-13-16)14-5-8-20(27-12-14)32(2)3/h2*4-7,13-16,34H,3,8-12H2,1-2H3,(H,31,33)(H,32,37);5-8,10-13,31H,4,9H2,1-3H3,(H,28,30)(H,29,33).
What are the key properties of 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide?
2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide has a molecular weight of 1653.83 g/mol, XLogP of 12.49, 24 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2-[6-(dimethylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 159128351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).