N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C111H136F3N25O10 — CID 161150614

About N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 161150614) has the molecular formula C111H136F3N25O10 and a molecular weight of 2037.47 g/mol. Its IUPAC name is N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• PubChem CID: 161150614
• Molecular Formula: C111H136F3N25O10
• Molecular Weight: 2037.47 g/mol
• Exact Mass: 2036.09
• IUPAC Name: N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• SMILES: C=CCn1cc(C(=O)N(C)C2CCN(c3ccnc(C#N)n3)CC2)c2cc[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3ccncn3)CC2)c2cc[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3nccc(C(F)(F)F)n3)CC2)c2cc[nH]c2c1=O.CN(CC1CCN(C2CCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2.CN(CC1CCN(CC2CCCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2
• InChI: InChI=1S/C24H35N3O2.C22H23F3N6O2.C22H23N7O2.C22H31N3O2.C21H24N6O2/c1-25(24(29)22-17-26(2)23(28)21-10-6-9-20(21)22)15-19-11-13-27(14-12-19)16-18-7-4-3-5-8-18;1-3-10-31-13-16(15-4-8-26-18(15)20(31)33)19(32)29(2)14-6-11-30(12-7-14)21-27-9-5-17(28-21)22(23,24)25;1-3-10-29-14-17(16-4-8-25-20(16)22(29)31)21(30)27(2)15-6-11-28(12-7-15)19-5-9-24-18(13-23)26-19;1-23(14-16-10-12-25(13-11-16)17-6-3-4-7-17)22(27)20-15-24(2)21(26)19-9-5-8-18(19)20;1-3-10-27-13-17(16-4-9-23-19(16)21(27)29)20(28)25(2)15-6-11-26(12-7-15)18-5-8-22-14-24-18/h6,9,17-19H,3-5,7-8,10-16H2,1-2H3;3-5,8-9,13-14,26H,1,6-7,10-12H2,2H3;3-5,8-9,14-15,25H,1,6-7,10-12H2,2H3;5,8,15-17H,3-4,6-7,9-14H2,1-2H3;3-5,8-9,13-15,23H,1,6-7,10-12H2,2H3
• InChIKey: UOPYHUVKHWUALE-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 376.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.47
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The IUPAC name of N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 161150614) is N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The canonical SMILES for N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is C=CCn1cc(C(=O)N(C)C2CCN(c3ccnc(C#N)n3)CC2)c2cc[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3ccncn3)CC2)c2cc[nH]c2c1=O.C=CCn1cc(C(=O)N(C)C2CCN(c3nccc(C(F)(F)F)n3)CC2)c2cc[nH]c2c1=O.CN(CC1CCN(C2CCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2.CN(CC1CCN(CC2CCCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2.

What is the InChIKey of N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The InChIKey is UOPYHUVKHWUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2.C22H23F3N6O2.C22H23N7O2.C22H31N3O2.C21H24N6O2/c1-25(24(29)22-17-26(2)23(28)21-10-6-9-20(21)22)15-19-11-13-27(14-12-19)16-18-7-4-3-5-8-18;1-3-10-31-13-16(15-4-8-26-18(15)20(31)33)19(32)29(2)14-6-11-30(12-7-14)21-27-9-5-17(28-21)22(23,24)25;1-3-10-29-14-17(16-4-8-25-20(16)22(29)31)21(30)27(2)15-6-11-28(12-7-15)19-5-9-24-18(13-23)26-19;1-23(14-16-10-12-25(13-11-16)17-6-3-4-7-17)22(27)20-15-24(2)21(26)19-9-5-8-18(19)20;1-3-10-27-13-17(16-4-9-23-19(16)21(27)29)20(28)25(2)15-6-11-26(12-7-15)18-5-8-22-14-24-18/h6,9,17-19H,3-5,7-8,10-16H2,1-2H3;3-5,8-9,13-14,26H,1,6-7,10-12H2,2H3;3-5,8-9,14-15,25H,1,6-7,10-12H2,2H3;5,8,15-17H,3-4,6-7,9-14H2,1-2H3;3-5,8-9,13-15,23H,1,6-7,10-12H2,2H3.

What are the key properties of N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 2037.47 g/mol, XLogP of 13.03, 24 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-cyanopyrimidin-4-yl)piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-[(1-cyclopentylpiperidin-4-yl)methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 161150614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).