1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C27H34F2N4O3 — CID 78320107

IUPAC1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC(F)F)CC2)c2ccccc12
InChIInChI=1S/C27H34F2N4O3/c1-16-13-23(36-4)21(26(34)31-16)14-30-27(35)25-18(3)33(22-8-6-5-7-20(22)25)17(2)19-9-11-32(12-10-19)15-24(28)29/h5-8,13,17,19,24H,9-12,14-15H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyRQOXQFWLPWTPPB-UHFFFAOYSA-N
MW500.59 g/mol
LogP4.42
Rot. Bonds8

About 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 78320107) has the molecular formula C27H34F2N4O3 and a molecular weight of 500.59 g/mol. Its IUPAC name is 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID78320107
Molecular FormulaC27H34F2N4O3
Molecular Weight500.59 g/mol
Exact Mass500.26
IUPAC Name1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC(F)F)CC2)c2ccccc12
InChIInChI=1S/C27H34F2N4O3/c1-16-13-23(36-4)21(26(34)31-16)14-30-27(35)25-18(3)33(22-8-6-5-7-20(22)25)17(2)19-9-11-32(12-10-19)15-24(28)29/h5-8,13,17,19,24H,9-12,14-15H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyRQOXQFWLPWTPPB-UHFFFAOYSA-N
XLogP4.42
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 78320107) is 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC(F)F)CC2)c2ccccc12.
What is the InChIKey of 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is RQOXQFWLPWTPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4O3/c1-16-13-23(36-4)21(26(34)31-16)14-30-27(35)25-18(3)33(22-8-6-5-7-20(22)25)17(2)19-9-11-32(12-10-19)15-24(28)29/h5-8,13,17,19,24H,9-12,14-15H2,1-4H3,(H,30,35)(H,31,34).
What are the key properties of 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 500.59 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 78320107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).