4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile

C139H130F3N27O — CID 163780962

About 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile

4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile (PubChem CID 163780962) has the molecular formula C139H130F3N27O and a molecular weight of 2251.75 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile
• PubChem CID: 163780962
• Molecular Formula: C139H130F3N27O
• Molecular Weight: 2251.75 g/mol
• Exact Mass: 2250.09
• IUPAC Name: 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile
• SMILES: Cn1ncc2cc(-c3ncc4c(c3-c3ccc(C#N)cc3)C=CC4)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C#N)cc3)ccc21.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3(F)CCN(C)CC3)c2-c2ccc(C#N)c(F)c2)ccc1NC.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3(O)CCN(C)CC3)c2-c2ccc(C#N)c(F)c2)ccc1NC.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3CCN(C)CC3)c2-c2ccc(C#N)cc2)ccc1NC
• InChI: InChI=1S/C29H28F2N6.C29H29FN6O.C29H30N6.C29H27N5.C23H16N4/c1-34-25-6-5-20(13-22(25)16-33)28-27(19-3-4-21(15-32)24(30)14-19)23-7-10-37(26(23)17-35-28)18-29(31)8-11-36(2)12-9-29;1-33-25-6-5-20(13-22(25)16-32)28-27(19-3-4-21(15-31)24(30)14-19)23-7-10-36(26(23)17-34-28)18-29(37)8-11-35(2)12-9-29;1-32-26-8-7-23(15-24(26)17-31)29-28(22-5-3-20(16-30)4-6-22)25-11-14-35(27(25)18-33-29)19-21-9-12-34(2)13-10-21;1-33-26-12-11-23(15-24(26)17-32-33)29-28(22-9-7-20(16-30)8-10-22)25-13-14-34(27(25)18-31-29)19-21-5-3-2-4-6-21;1-27-21-10-9-17(11-19(21)14-26-27)23-22(16-7-5-15(12-24)6-8-16)20-4-2-3-18(20)13-25-23/h3-7,10,13-14,16-17,33-34H,8-9,11-12,18H2,1-2H3;3-7,10,13-14,16-17,32-33,37H,8-9,11-12,18H2,1-2H3;3-8,11,14-15,17-18,21,31-32H,9-10,12-13,19H2,1-2H3;7-15,17-18,21H,2-6,19H2,1H3;2,4-11,13-14H,3H2,1H3/b33-16+;32-16+;31-17+
• InChIKey: MONYGNRQACDPOI-GSLUMDFMSA-N
• XLogP: 27.81
• TPSA: 376.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.75
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile?

The IUPAC name of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile (CID 163780962) is 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile.

What is the SMILES notation for 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile?

The canonical SMILES for 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile is Cn1ncc2cc(-c3ncc4c(c3-c3ccc(C#N)cc3)C=CC4)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C#N)cc3)ccc21.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3(F)CCN(C)CC3)c2-c2ccc(C#N)c(F)c2)ccc1NC.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3(O)CCN(C)CC3)c2-c2ccc(C#N)c(F)c2)ccc1NC.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3CCN(C)CC3)c2-c2ccc(C#N)cc2)ccc1NC.

What is the InChIKey of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile?

The InChIKey is MONYGNRQACDPOI-GSLUMDFMSA-N. The full InChI is InChI=1S/C29H28F2N6.C29H29FN6O.C29H30N6.C29H27N5.C23H16N4/c1-34-25-6-5-20(13-22(25)16-33)28-27(19-3-4-21(15-32)24(30)14-19)23-7-10-37(26(23)17-35-28)18-29(31)8-11-36(2)12-9-29;1-33-25-6-5-20(13-22(25)16-32)28-27(19-3-4-21(15-31)24(30)14-19)23-7-10-36(26(23)17-34-28)18-29(37)8-11-35(2)12-9-29;1-32-26-8-7-23(15-24(26)17-31)29-28(22-5-3-20(16-30)4-6-22)25-11-14-35(27(25)18-33-29)19-21-9-12-34(2)13-10-21;1-33-26-12-11-23(15-24(26)17-32-33)29-28(22-9-7-20(16-30)8-10-22)25-13-14-34(27(25)18-31-29)19-21-5-3-2-4-6-21;1-27-21-10-9-17(11-19(21)14-26-27)23-22(16-7-5-15(12-24)6-8-16)20-4-2-3-18(20)13-25-23/h3-7,10,13-14,16-17,33-34H,8-9,11-12,18H2,1-2H3;3-7,10,13-14,16-17,32-33,37H,8-9,11-12,18H2,1-2H3;3-8,11,14-15,17-18,21,31-32H,9-10,12-13,19H2,1-2H3;7-15,17-18,21H,2-6,19H2,1H3;2,4-11,13-14H,3H2,1H3/b33-16+;32-16+;31-17+;;.

What are the key properties of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile?

4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile has a molecular weight of 2251.75 g/mol, XLogP of 27.81, 24 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 163780962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).