4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile

C144H129F7N24O — CID 163606993

About 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile

4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 163606993) has the molecular formula C144H129F7N24O and a molecular weight of 2344.77 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile
• PubChem CID: 163606993
• Molecular Formula: C144H129F7N24O
• Molecular Weight: 2344.77 g/mol
• Exact Mass: 2343.07
• IUPAC Name: 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile
• SMILES: CN1CCOc2cc(-c3ncc4c(ccn4CC4CCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCC4)c3-c3ccc(C#N)c(C(F)(F)F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCC4)c3-c3ccc(C#N)cc3F)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3CCCCC3)c2-c2ccc(C#N)c(F)c2)ccc1NC
• InChI: InChI=1S/C29H24F3N5.C29H26FN5.C29H28FN5.C29H27FN4O.C28H24FN5/c1-36-25-9-8-20(12-22(25)15-35-36)28-27(19-6-7-21(14-33)24(13-19)29(30,31)32)23-10-11-37(26(23)16-34-28)17-18-4-2-3-5-18;1-34-26-10-9-21(13-23(26)16-33-34)29-28(20-7-8-22(15-31)25(30)14-20)24-11-12-35(27(24)17-32-29)18-19-5-3-2-4-6-19;1-33-26-10-9-21(13-23(26)16-32)29-28(20-7-8-22(15-31)25(30)14-20)24-11-12-35(27(24)17-34-29)18-19-5-3-2-4-6-19;1-33-12-13-35-27-15-21(8-9-25(27)33)29-28(20-6-7-22(16-31)24(30)14-20)23-10-11-34(26(23)17-32-29)18-19-4-2-3-5-19;1-33-25-9-7-20(13-21(25)15-32-33)28-27(22-8-6-19(14-30)12-24(22)29)23-10-11-34(26(23)16-31-28)17-18-4-2-3-5-18/h6-13,15-16,18H,2-5,17H2,1H3;7-14,16-17,19H,2-6,18H2,1H3;7-14,16-17,19,32-33H,2-6,18H2,1H3;6-11,14-15,17,19H,2-5,12-13,18H2,1H3;6-13,15-16,18H,2-5,17H2,1H3/b;;32-16+
• InChIKey: HCQHBRGOKURZNP-CAILZABKSA-N
• XLogP: 34.04
• TPSA: 309.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.77
LogP ≤ 5	34.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile?

The IUPAC name of 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile (CID 163606993) is 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile?

The canonical SMILES for 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile is CN1CCOc2cc(-c3ncc4c(ccn4CC4CCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCC4)c3-c3ccc(C#N)c(C(F)(F)F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCC4)c3-c3ccc(C#N)cc3F)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.[H]/N=C/c1cc(-c2ncc3c(ccn3CC3CCCCC3)c2-c2ccc(C#N)c(F)c2)ccc1NC.

What is the InChIKey of 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile?

The InChIKey is HCQHBRGOKURZNP-CAILZABKSA-N. The full InChI is InChI=1S/C29H24F3N5.C29H26FN5.C29H28FN5.C29H27FN4O.C28H24FN5/c1-36-25-9-8-20(12-22(25)15-35-36)28-27(19-6-7-21(14-33)24(13-19)29(30,31)32)23-10-11-37(26(23)16-34-28)17-18-4-2-3-5-18;1-34-26-10-9-21(13-23(26)16-33-34)29-28(20-7-8-22(15-31)25(30)14-20)24-11-12-35(27(24)17-32-29)18-19-5-3-2-4-6-19;1-33-26-10-9-21(13-23(26)16-32)29-28(20-7-8-22(15-31)25(30)14-20)24-11-12-35(27(24)17-34-29)18-19-5-3-2-4-6-19;1-33-12-13-35-27-15-21(8-9-25(27)33)29-28(20-6-7-22(16-31)24(30)14-20)23-10-11-34(26(23)17-32-29)18-19-4-2-3-5-19;1-33-25-9-7-20(13-21(25)15-32-33)28-27(22-8-6-19(14-30)12-24(22)29)23-10-11-34(26(23)16-31-28)17-18-4-2-3-5-18/h6-13,15-16,18H,2-5,17H2,1H3;7-14,16-17,19H,2-6,18H2,1H3;7-14,16-17,19,32-33H,2-6,18H2,1H3;6-11,14-15,17,19H,2-5,12-13,18H2,1H3;6-13,15-16,18H,2-5,17H2,1H3/b;;32-16+;;.

What are the key properties of 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile?

4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 2344.77 g/mol, XLogP of 34.04, 22 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclohexylmethyl)-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-3-fluorobenzonitrile;4-[1-(cyclopentylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 163606993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).