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

C29H38F2N4O3 — CID 122491251

IUPAC1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCCC1CC(C(C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CCN1CC(F)F
InChIInChI=1S/C29H38F2N4O3/c1-6-21-14-20(11-12-34(21)16-26(30)31)18(3)35-19(4)27(22-9-7-8-10-24(22)35)29(37)32-15-23-25(38-5)13-17(2)33-28(23)36/h7-10,13,18,20-21,26H,6,11-12,14-16H2,1-5H3,(H,32,37)(H,33,36)
InChIKeyQLFJFWCSOZTQJB-UHFFFAOYSA-N
MW528.64 g/mol
LogP5.20
Rot. Bonds9

About 1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-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)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 122491251) has the molecular formula C29H38F2N4O3 and a molecular weight of 528.64 g/mol. Its IUPAC name is 1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-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)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID122491251
Molecular FormulaC29H38F2N4O3
Molecular Weight528.64 g/mol
Exact Mass528.29
IUPAC Name1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCCC1CC(C(C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CCN1CC(F)F
InChIInChI=1S/C29H38F2N4O3/c1-6-21-14-20(11-12-34(21)16-26(30)31)18(3)35-19(4)27(22-9-7-8-10-24(22)35)29(37)32-15-23-25(38-5)13-17(2)33-28(23)36/h7-10,13,18,20-21,26H,6,11-12,14-16H2,1-5H3,(H,32,37)(H,33,36)
InChIKeyQLFJFWCSOZTQJB-UHFFFAOYSA-N
XLogP5.20
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-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)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 122491251) is 1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-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)-2-ethylpiperidin-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)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is CCC1CC(C(C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CCN1CC(F)F.
What is the InChIKey of 1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is QLFJFWCSOZTQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2N4O3/c1-6-21-14-20(11-12-34(21)16-26(30)31)18(3)35-19(4)27(22-9-7-8-10-24(22)35)29(37)32-15-23-25(38-5)13-17(2)33-28(23)36/h7-10,13,18,20-21,26H,6,11-12,14-16H2,1-5H3,(H,32,37)(H,33,36).
What are the key properties of 1-[1-[1-(2,2-difluoroethyl)-2-ethylpiperidin-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)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 528.64 g/mol, XLogP of 5.20, 9 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)-2-ethylpiperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 122491251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).