4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane

C92H71F6N15O11S2 — CID 161490988

About 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane

4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane (PubChem CID 161490988) has the molecular formula C92H71F6N15O11S2 and a molecular weight of 1740.80 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane
• PubChem CID: 161490988
• Molecular Formula: C92H71F6N15O11S2
• Molecular Weight: 1740.80 g/mol
• Exact Mass: 1739.48
• IUPAC Name: 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane
• SMILES: C.C.N#Cc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)n1.O=C(CCc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(CCc1nccc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C32H23F2N5O4S.C27H20F2N4O2.C18H11N5O2S.C13H9F2NO3.2CH4/c33-26-11-10-21(18-27(26)34)19-38-17-5-9-24(32(38)41)29(40)12-13-30-35-16-14-28(37-30)25-20-39(31-23(25)8-4-15-36-31)44(42,43)22-6-2-1-3-7-22;28-21-7-5-17(15-22(21)29)16-33-14-2-4-20(27(33)35)25(34)9-10-26-31-13-11-24(32-26)19-6-8-23-18(19)3-1-12-30-23;19-11-17-20-10-8-16(22-17)15-12-23(18-14(15)7-4-9-21-18)26(24,25)13-5-2-1-3-6-13;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;;/h1-11,14-18,20H,12-13,19H2;1-7,11-15H,8-10,16H2;1-10,12H;1-6H,7H2,(H,18,19);2*1H4
• InChIKey: WFPJNJJDBWICQM-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 355.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.80
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane?

The IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane (CID 161490988) is 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane.

What is the SMILES notation for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane?

The canonical SMILES for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane is C.C.N#Cc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)n1.O=C(CCc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(CCc1nccc(C2=CCc3ncccc32)n1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane?

The InChIKey is WFPJNJJDBWICQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N5O4S.C27H20F2N4O2.C18H11N5O2S.C13H9F2NO3.2CH4/c33-26-11-10-21(18-27(26)34)19-38-17-5-9-24(32(38)41)29(40)12-13-30-35-16-14-28(37-30)25-20-39(31-23(25)8-4-15-36-31)44(42,43)22-6-2-1-3-7-22;28-21-7-5-17(15-22(21)29)16-33-14-2-4-20(27(33)35)25(34)9-10-26-31-13-11-24(32-26)19-6-8-23-18(19)3-1-12-30-23;19-11-17-20-10-8-16(22-17)15-12-23(18-14(15)7-4-9-21-18)26(24,25)13-5-2-1-3-6-13;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;;/h1-11,14-18,20H,12-13,19H2;1-7,11-15H,8-10,16H2;1-10,12H;1-6H,7H2,(H,18,19);2*1H4.

What are the key properties of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane?

4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane has a molecular weight of 1740.80 g/mol, XLogP of 14.94, 22 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carbonitrile;3-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;3-[3-[4-(7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]propanoyl]-1-[(3,4-difluorophenyl)methyl]pyridin-2-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane is sourced from PubChem (CID 161490988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).