N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C80H86F6N20O9S3 — CID 158155519

IUPACN-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(C(C)C)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(CC6CC6)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1F
InChIInChI=1S/C30H33F2N7O3S.C29H33F2N7O3S.C21H20F2N6O3S/c1-2-13-43(41,42)37-24-7-6-23(31)27(28(24)32)30(40)35-22-14-21-15-25(36-29(21)34-17-22)20-5-8-26(33-16-20)39-11-9-38(10-12-39)18-19-3-4-19;1-4-13-42(40,41)36-23-7-6-22(30)26(27(23)31)29(39)34-21-14-20-15-24(35-28(20)33-17-21)19-5-8-25(32-16-19)38-11-9-37(10-12-38)18(2)3;1-3-6-33(31,32)28-16-5-4-15(22)18(19(16)23)21(30)26-14-7-12-8-17(27-20(12)24-10-14)13-9-25-29(2)11-13/h5-8,14-17,19,37H,2-4,9-13,18H2,1H3,(H,34,36)(H,35,40);5-8,14-18,36H,4,9-13H2,1-3H3,(H,33,35)(H,34,39);4-5,7-11,28H,3,6H2,1-2H3,(H,24,27)(H,26,30)
InChIKeyFVQDBENXIBXBTL-UHFFFAOYSA-N
MW1681.89 g/mol
LogP13.32
Rot. Bonds26

About N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 158155519) has the molecular formula C80H86F6N20O9S3 and a molecular weight of 1681.89 g/mol. Its IUPAC name is N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
PubChem CID158155519
Molecular FormulaC80H86F6N20O9S3
Molecular Weight1681.89 g/mol
Exact Mass1680.60
IUPAC NameN-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(C(C)C)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(CC6CC6)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1F
InChIInChI=1S/C30H33F2N7O3S.C29H33F2N7O3S.C21H20F2N6O3S/c1-2-13-43(41,42)37-24-7-6-23(31)27(28(24)32)30(40)35-22-14-21-15-25(36-29(21)34-17-22)20-5-8-26(33-16-20)39-11-9-38(10-12-39)18-19-3-4-19;1-4-13-42(40,41)36-23-7-6-22(30)26(27(23)31)29(39)34-21-14-20-15-24(35-28(20)33-17-21)19-5-8-25(32-16-19)38-11-9-37(10-12-38)18(2)3;1-3-6-33(31,32)28-16-5-4-15(22)18(19(16)23)21(30)26-14-7-12-8-17(27-20(12)24-10-14)13-9-25-29(2)11-13/h5-8,14-17,19,37H,2-4,9-13,18H2,1H3,(H,34,36)(H,35,40);5-8,14-18,36H,4,9-13H2,1-3H3,(H,33,35)(H,34,39);4-5,7-11,28H,3,6H2,1-2H3,(H,24,27)(H,26,30)
InChIKeyFVQDBENXIBXBTL-UHFFFAOYSA-N
XLogP13.32
TPSA368.41 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001681.89
LogP ≤ 513.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide with MolForge

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Related Compounds

4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[3-[5-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]benzamide
CID 164540865
US10994015, Example 312
CID 156327992
US20240368194, Example 55
CID 171773712
N-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223583
2,6-difluoro-3-(propylsulfonylamino)-N-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44223872
2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223876
N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223917
2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223918
2,6-difluoro-3-(propylsulfonylamino)-N-[2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-7-ium-5-yl]benzamide
CID 123434822
2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide;N-[1-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 124140141
(1R)-N-[7-[4-[1-[[(2R,3R)-2-[[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]carbamoyl]-3-fluorocyclopropyl]methyl]pyrazol-4-yl]-2-[methyl(methylsulfonyl)amino]anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134455383
cis-(1R,2R)-2-fluoro-3-[[4-[4-[[5-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-3-[methyl(methylsulfonyl)amino]phenyl]pyrazol-1-yl]methyl]-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134456305

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 158155519) is N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(C(C)C)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCN(CC6CC6)CC5)nc4)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1F.
What is the InChIKey of N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is FVQDBENXIBXBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N7O3S.C29H33F2N7O3S.C21H20F2N6O3S/c1-2-13-43(41,42)37-24-7-6-23(31)27(28(24)32)30(40)35-22-14-21-15-25(36-29(21)34-17-22)20-5-8-26(33-16-20)39-11-9-38(10-12-39)18-19-3-4-19;1-4-13-42(40,41)36-23-7-6-22(30)26(27(23)31)29(39)34-21-14-20-15-24(35-28(20)33-17-21)19-5-8-25(32-16-19)38-11-9-37(10-12-38)18(2)3;1-3-6-33(31,32)28-16-5-4-15(22)18(19(16)23)21(30)26-14-7-12-8-17(27-20(12)24-10-14)13-9-25-29(2)11-13/h5-8,14-17,19,37H,2-4,9-13,18H2,1H3,(H,34,36)(H,35,40);5-8,14-18,36H,4,9-13H2,1-3H3,(H,33,35)(H,34,39);4-5,7-11,28H,3,6H2,1-2H3,(H,24,27)(H,26,30).
What are the key properties of N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 1681.89 g/mol, XLogP of 13.32, 26 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[2-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 158155519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).