4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C167H161N33 — CID 163568840

About 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 163568840) has the molecular formula C167H161N33 and a molecular weight of 2630.36 g/mol. Its IUPAC name is 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
• PubChem CID: 163568840
• Molecular Formula: C167H161N33
• Molecular Weight: 2630.36 g/mol
• Exact Mass: 2628.36
• IUPAC Name: 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
• SMILES: CCCCCn1ccc2c(-c3ccc(C#N)cc3)c(-c3ccc4c(cnn4C)c3)ncc21.CCN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)CC1.CN1CC[C@@H](Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)C1.CNCCCn1ccc2c(-c3ccc(C#N)cc3)c(-c3ccc4c(cnn4C)c3)ncc21.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3CCCCCC3)c2-c2ccc(C#N)cc2)ccc1NC.[H]/N=C/c1cc(-c2ncc3c(ccn3CCCC)c2-c2ccc(C#N)cc2)ccc1NC
• InChI: InChI=1S/C30H30N6.C30H31N5.C28H26N6.C27H25N5.C26H24N6.C26H25N5/c1-3-35-13-10-22(11-14-35)20-36-15-12-26-28(36)19-32-30(29(26)23-6-4-21(17-31)5-7-23)24-8-9-27-25(16-24)18-33-34(27)2;1-33-27-13-12-24(16-25(27)18-32)30-29(23-10-8-21(17-31)9-11-23)26-14-15-35(28(26)19-34-30)20-22-6-4-2-3-5-7-22;1-32-11-9-20(17-32)18-34-12-10-24-26(34)16-30-28(27(24)21-5-3-19(14-29)4-6-21)22-7-8-25-23(13-22)15-31-33(25)2;1-3-4-5-13-32-14-12-23-25(32)18-29-27(26(23)20-8-6-19(16-28)7-9-20)21-10-11-24-22(15-21)17-30-31(24)2;1-28-11-3-12-32-13-10-22-24(32)17-29-26(25(22)19-6-4-18(15-27)5-7-19)20-8-9-23-21(14-20)16-30-31(23)2;1-3-4-12-31-13-11-22-24(31)17-30-26(20-9-10-23(29-2)21(14-20)16-28)25(22)19-7-5-18(15-27)6-8-19/h4-9,12,15-16,18-19,22H,3,10-11,13-14,20H2,1-2H3;8-16,18-19,22,32-33H,2-7,20H2,1H3;3-8,10,12-13,15-16,20H,9,11,17-18H2,1-2H3;6-12,14-15,17-18H,3-5,13H2,1-2H3;4-10,13-14,16-17,28H,3,11-12H2,1-2H3;5-11,13-14,16-17,28-29H,3-4,12H2,1-2H3/b;32-18+;;;;28-16+/t;;20-;;;/m..1.../s1
• InChIKey: FXMMAGHDZNFJIV-KDHYMOMZSA-N
• XLogP: 35.33
• TPSA: 411.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.36
LogP ≤ 5	35.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?

The IUPAC name of 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 163568840) is 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

What is the SMILES notation for 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?

The canonical SMILES for 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile is CCCCCn1ccc2c(-c3ccc(C#N)cc3)c(-c3ccc4c(cnn4C)c3)ncc21.CCN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)CC1.CN1CC[C@@H](Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)C1.CNCCCn1ccc2c(-c3ccc(C#N)cc3)c(-c3ccc4c(cnn4C)c3)ncc21.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3CCCCCC3)c2-c2ccc(C#N)cc2)ccc1NC.[H]/N=C/c1cc(-c2ncc3c(ccn3CCCC)c2-c2ccc(C#N)cc2)ccc1NC.

What is the InChIKey of 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?

The InChIKey is FXMMAGHDZNFJIV-KDHYMOMZSA-N. The full InChI is InChI=1S/C30H30N6.C30H31N5.C28H26N6.C27H25N5.C26H24N6.C26H25N5/c1-3-35-13-10-22(11-14-35)20-36-15-12-26-28(36)19-32-30(29(26)23-6-4-21(17-31)5-7-23)24-8-9-27-25(16-24)18-33-34(27)2;1-33-27-13-12-24(16-25(27)18-32)30-29(23-10-8-21(17-31)9-11-23)26-14-15-35(28(26)19-34-30)20-22-6-4-2-3-5-7-22;1-32-11-9-20(17-32)18-34-12-10-24-26(34)16-30-28(27(24)21-5-3-19(14-29)4-6-21)22-7-8-25-23(13-22)15-31-33(25)2;1-3-4-5-13-32-14-12-23-25(32)18-29-27(26(23)20-8-6-19(16-28)7-9-20)21-10-11-24-22(15-21)17-30-31(24)2;1-28-11-3-12-32-13-10-22-24(32)17-29-26(25(22)19-6-4-18(15-27)5-7-19)20-8-9-23-21(14-20)16-30-31(23)2;1-3-4-12-31-13-11-22-24(31)17-30-26(20-9-10-23(29-2)21(14-20)16-28)25(22)19-7-5-18(15-27)6-8-19/h4-9,12,15-16,18-19,22H,3,10-11,13-14,20H2,1-2H3;8-16,18-19,22,32-33H,2-7,20H2,1H3;3-8,10,12-13,15-16,20H,9,11,17-18H2,1-2H3;6-12,14-15,17-18H,3-5,13H2,1-2H3;4-10,13-14,16-17,28H,3,11-12H2,1-2H3;5-11,13-14,16-17,28-29H,3-4,12H2,1-2H3/b;32-18+;;;;28-16+/t;;20-;;;/m..1.../s1.

What are the key properties of 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile?

4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 2630.36 g/mol, XLogP of 35.33, 34 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-butyl-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-(cycloheptylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-ethylpiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[3-(methylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylindazol-5-yl)-1-pentylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 163568840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).