4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C138H148ClF5N28O14 — CID 158539402

About 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one

4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 158539402) has the molecular formula C138H148ClF5N28O14 and a molecular weight of 2553.33 g/mol. Its IUPAC name is 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 158539402
• Molecular Formula: C138H148ClF5N28O14
• Molecular Weight: 2553.33 g/mol
• Exact Mass: 2551.13
• IUPAC Name: 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cn1cc(C(=O)N2CCC(C(C)(C)C)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(Cc3cccnc3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3cccc(F)c3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(n3cnc4ccccc43)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)NC2CCN(c3ncc(F)cn3)CC2)c2c(c1=O)CC=C2.Cn1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)c2c(c1=O)CC=C2
• InChI: InChI=1S/C21H21N5O2.C20H20ClN3O2.C20H20F3N5O2.C20H20FN3O2.C20H22N4O2.C19H20FN5O2.C18H25N3O2/c1-24-12-16(15-6-9-22-19(15)21(24)28)20(27)25-10-7-14(8-11-25)26-13-23-17-4-2-3-5-18(17)26;1-23-12-17(16-6-9-22-18(16)20(23)26)19(25)24-10-7-14(8-11-24)13-2-4-15(21)5-3-13;1-27-11-15(13-3-2-4-14(13)18(27)30)17(29)25-12-6-9-28(10-7-12)19-24-8-5-16(26-19)20(21,22)23;1-23-12-17(16-5-8-22-18(16)20(23)26)19(25)24-9-6-13(7-10-24)14-3-2-4-15(21)11-14;1-23-13-17(16-4-8-22-18(16)20(23)26)19(25)24-9-5-14(6-10-24)11-15-3-2-7-21-12-15;1-24-11-16(14-3-2-4-15(14)18(24)27)17(26)23-13-5-7-25(8-6-13)19-21-9-12(20)10-22-19;1-18(2,3)12-6-9-21(10-7-12)16(22)14-11-20(4)17(23)15-13(14)5-8-19-15/h2-6,9,12-14,22H,7-8,10-11H2,1H3;2-6,9,12,14,22H,7-8,10-11H2,1H3;2-3,5,8,11-12H,4,6-7,9-10H2,1H3,(H,25,29);2-5,8,11-13,22H,6-7,9-10H2,1H3;2-4,7-8,12-14,22H,5-6,9-11H2,1H3;2-3,9-11,13H,4-8H2,1H3,(H,23,26);5,8,11-12,19H,6-7,9-10H2,1-4H3
• InChIKey: HOIJJIWWNYKDDZ-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 481.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2553.33
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 158539402) is 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(C(=O)N2CCC(C(C)(C)C)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(Cc3cccnc3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(c3cccc(F)c3)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)N2CCC(n3cnc4ccccc43)CC2)c2cc[nH]c2c1=O.Cn1cc(C(=O)NC2CCN(c3ncc(F)cn3)CC2)c2c(c1=O)CC=C2.Cn1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)c2c(c1=O)CC=C2.

What is the InChIKey of 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is HOIJJIWWNYKDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C20H20ClN3O2.C20H20F3N5O2.C20H20FN3O2.C20H22N4O2.C19H20FN5O2.C18H25N3O2/c1-24-12-16(15-6-9-22-19(15)21(24)28)20(27)25-10-7-14(8-11-25)26-13-23-17-4-2-3-5-18(17)26;1-23-12-17(16-6-9-22-18(16)20(23)26)19(25)24-10-7-14(8-11-24)13-2-4-15(21)5-3-13;1-27-11-15(13-3-2-4-14(13)18(27)30)17(29)25-12-6-9-28(10-7-12)19-24-8-5-16(26-19)20(21,22)23;1-23-12-17(16-5-8-22-18(16)20(23)26)19(25)24-9-6-13(7-10-24)14-3-2-4-15(21)11-14;1-23-13-17(16-4-8-22-18(16)20(23)26)19(25)24-9-5-14(6-10-24)11-15-3-2-7-21-12-15;1-24-11-16(14-3-2-4-15(14)18(24)27)17(26)23-13-5-7-25(8-6-13)19-21-9-12(20)10-22-19;1-18(2,3)12-6-9-21(10-7-12)16(22)14-11-20(4)17(23)15-13(14)5-8-19-15/h2-6,9,12-14,22H,7-8,10-11H2,1H3;2-6,9,12,14,22H,7-8,10-11H2,1H3;2-3,5,8,11-12H,4,6-7,9-10H2,1H3,(H,25,29);2-5,8,11-13,22H,6-7,9-10H2,1H3;2-4,7-8,12-14,22H,5-6,9-11H2,1H3;2-3,9-11,13H,4-8H2,1H3,(H,23,26);5,8,11-12,19H,6-7,9-10H2,1-4H3.

What are the key properties of 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 2553.33 g/mol, XLogP of 17.83, 16 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 158539402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).