1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide

C131H130F10N17O8+ — CID 157447741

About 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide

1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 157447741) has the molecular formula C131H130F10N17O8+ and a molecular weight of 2260.57 g/mol. Its IUPAC name is 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide
• PubChem CID: 157447741
• Molecular Formula: C131H130F10N17O8+
• Molecular Weight: 2260.57 g/mol
• Exact Mass: 2259.01
• IUPAC Name: 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide
• SMILES: CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2c[n+](O)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccncc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnccc2n1Cc1ccccn1.CCCCn1cc2c(cc1=O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccc1
• InChI: InChI=1S/2C29H31F2N3O2.C25H23F2N3O.C24H22F2N4O2.C24H22F2N4O/c1-18(2)17-36-22-9-10-23-26(14-22)34(16-21-7-5-6-12-32-21)28(19(3)4)27(23)29(35)33-15-20-8-11-24(30)25(31)13-20;1-4-5-13-33-18-25-22(15-26(33)35)27(29(36)32-16-21-11-12-23(30)24(31)14-21)28(19(2)3)34(25)17-20-9-7-6-8-10-20;1-16(2)24-23(25(31)29-13-18-8-9-20(26)21(27)12-18)19-10-11-28-14-22(19)30(24)15-17-6-4-3-5-7-17;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;1-15(2)23-22(24(31)29-12-16-6-7-19(25)20(26)11-16)18-13-27-10-8-21(18)30(23)14-17-5-3-4-9-28-17/h5-14,18-19H,15-17H2,1-4H3,(H,33,35);6-12,14-15,18-19H,4-5,13,16-17H2,1-3H3,(H,32,36);3-12,14,16H,13,15H2,1-2H3,(H,29,31);3-11,14-15H,12-13H2,1-2H3,(H-,28,31,32);3-11,13,15H,12,14H2,1-2H3,(H,29,31)/p+1
• InChIKey: BSKSUFKRMOKFOK-UHFFFAOYSA-O
• XLogP: 26.60
• TPSA: 289.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.57
LogP ≤ 5	26.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

The IUPAC name of 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 157447741) is 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide is CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2c[n+](O)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccncc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cnccc2n1Cc1ccccn1.CCCCn1cc2c(cc1=O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccc1.

What is the InChIKey of 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

The InChIKey is BSKSUFKRMOKFOK-UHFFFAOYSA-O. The full InChI is InChI=1S/2C29H31F2N3O2.C25H23F2N3O.C24H22F2N4O2.C24H22F2N4O/c1-18(2)17-36-22-9-10-23-26(14-22)34(16-21-7-5-6-12-32-21)28(19(3)4)27(23)29(35)33-15-20-8-11-24(30)25(31)13-20;1-4-5-13-33-18-25-22(15-26(33)35)27(29(36)32-16-21-11-12-23(30)24(31)14-21)28(19(2)3)34(25)17-20-9-7-6-8-10-20;1-16(2)24-23(25(31)29-13-18-8-9-20(26)21(27)12-18)19-10-11-28-14-22(19)30(24)15-17-6-4-3-5-7-17;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;1-15(2)23-22(24(31)29-12-16-6-7-19(25)20(26)11-16)18-13-27-10-8-21(18)30(23)14-17-5-3-4-9-28-17/h5-14,18-19H,15-17H2,1-4H3,(H,33,35);6-12,14-15,18-19H,4-5,13,16-17H2,1-3H3,(H,32,36);3-12,14,16H,13,15H2,1-2H3,(H,29,31);3-11,14-15H,12-13H2,1-2H3,(H-,28,31,32);3-11,13,15H,12,14H2,1-2H3,(H,29,31)/p+1.

What are the key properties of 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide?

1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 2260.57 g/mol, XLogP of 26.60, 36 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-butyl-N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-ylpyrrolo[2,3-c]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyrrolo[2,3-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-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 157447741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).