N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

C55H70F3N7O5 — CID 158165654

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 158165654) has the molecular formula C55H70F3N7O5 and a molecular weight of 966.20 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
• PubChem CID: 158165654
• Molecular Formula: C55H70F3N7O5
• Molecular Weight: 966.20 g/mol
• Exact Mass: 965.54
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
• SMILES: CCN1CCC(C(C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)[C@H](C(F)(F)F)C2)c2ccccc12
• InChI: InChI=1S/C28H34F3N3O3.C27H36N4O2/c1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-6-30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32/h6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t17-,19-,25+;/m1./s1
• InChIKey: FWURDVGTHYEOAV-JNRHTMKASA-N
• XLogP: 10.08
• TPSA: 137.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.20
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 158165654) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is CCN1CCC(C(C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)[C@@H]2CCN(C)[C@H](C(F)(F)F)C2)c2ccccc12.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The InChIKey is FWURDVGTHYEOAV-JNRHTMKASA-N. The full InChI is InChI=1S/C28H34F3N3O3.C27H36N4O2/c1-16-14-24(37-5)21(27(36)32-16)10-11-23(35)26-18(3)34(22-9-7-6-8-20(22)26)17(2)19-12-13-33(4)25(15-19)28(29,30)31;1-6-30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32/h6-9,14,17,19,25H,10-13,15H2,1-5H3,(H,32,36);7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t17-,19-,25+;/m1./s1.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 966.20 g/mol, XLogP of 10.08, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[(2S,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 158165654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).