6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide

C109H111F8N18O7+ — CID 158178535

About 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide

6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 158178535) has the molecular formula C109H111F8N18O7+ and a molecular weight of 1937.19 g/mol. Its IUPAC name is 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide
• PubChem CID: 158178535
• Molecular Formula: C109H111F8N18O7+
• Molecular Weight: 1937.19 g/mol
• Exact Mass: 1935.87
• IUPAC Name: 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc2c(cn1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2c[n+](O)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(NC3CCCC3)cc2n1Cc1ccccn1.CC1CN=C(c2cc3c(cn2)c(C(=O)NCc2ccc(F)c(F)c2)c(C(C)C)n3Cc2cccnc2)O1
• InChI: InChI=1S/C29H31F2N5O.C28H27F2N5O2.C28H30F2N4O2.C24H22F2N4O2/c1-18(2)28-27(29(37)34-15-19-10-11-23(30)24(31)13-19)22-16-33-26(35-20-7-3-4-8-20)14-25(22)36(28)17-21-9-5-6-12-32-21;1-16(2)26-25(27(36)33-13-18-6-7-21(29)22(30)9-18)20-14-32-23(28-34-11-17(3)37-28)10-24(20)35(26)15-19-5-4-8-31-12-19;1-17(2)16-36-25-12-24-21(14-32-25)26(28(35)33-13-19-8-9-22(29)23(30)11-19)27(18(3)4)34(24)15-20-7-5-6-10-31-20;1-15(2)23-22(24(31)28-12-16-6-7-19(25)20(26)11-16)18-14-29(32)10-8-21(18)30(23)13-17-5-3-4-9-27-17/h5-6,9-14,16,18,20H,3-4,7-8,15,17H2,1-2H3,(H,33,35)(H,34,37);4-10,12,14,16-17H,11,13,15H2,1-3H3,(H,33,36);5-12,14,17-18H,13,15-16H2,1-4H3,(H,33,35);3-11,14-15H,12-13H2,1-2H3,(H-,28,31,32)/p+1
• InChIKey: FYHGECGDVIXGLY-UHFFFAOYSA-O
• XLogP: 20.93
• TPSA: 293.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.19
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

The IUPAC name of 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 158178535) is 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide is CC(C)COc1cc2c(cn1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2c[n+](O)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnc(NC3CCCC3)cc2n1Cc1ccccn1.CC1CN=C(c2cc3c(cn2)c(C(=O)NCc2ccc(F)c(F)c2)c(C(C)C)n3Cc2cccnc2)O1.

What is the InChIKey of 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

The InChIKey is FYHGECGDVIXGLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H31F2N5O.C28H27F2N5O2.C28H30F2N4O2.C24H22F2N4O2/c1-18(2)28-27(29(37)34-15-19-10-11-23(30)24(31)13-19)22-16-33-26(35-20-7-3-4-8-20)14-25(22)36(28)17-21-9-5-6-12-32-21;1-16(2)26-25(27(36)33-13-18-6-7-21(29)22(30)9-18)20-14-32-23(28-34-11-17(3)37-28)10-24(20)35(26)15-19-5-4-8-31-12-19;1-17(2)16-36-25-12-24-21(14-32-25)26(28(35)33-13-19-8-9-22(29)23(30)11-19)27(18(3)4)34(24)15-20-7-5-6-10-31-20;1-15(2)23-22(24(31)28-12-16-6-7-19(25)20(26)11-16)18-14-29(32)10-8-21(18)30(23)13-17-5-3-4-9-27-17/h5-6,9-14,16,18,20H,3-4,7-8,15,17H2,1-2H3,(H,33,35)(H,34,37);4-10,12,14,16-17H,11,13,15H2,1-3H3,(H,33,36);5-12,14,17-18H,13,15-16H2,1-4H3,(H,33,35);3-11,14-15H,12-13H2,1-2H3,(H-,28,31,32)/p+1.

What are the key properties of 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 1937.19 g/mol, XLogP of 20.93, 30 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 158178535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).