1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C25H30F2N4O3 — CID 144791389

IUPAC1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-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(CC2C(F)CN(C)CC2F)c2ccccc12
InChIInChI=1S/C25H30F2N4O3/c1-14-9-22(34-4)17(24(32)29-14)10-28-25(33)23-15(2)31(21-8-6-5-7-16(21)23)11-18-19(26)12-30(3)13-20(18)27/h5-9,18-20H,10-13H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyAYNCLZPBCUBGAC-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.12
Rot. Bonds6

About 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 144791389) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID144791389
Molecular FormulaC25H30F2N4O3
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-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(CC2C(F)CN(C)CC2F)c2ccccc12
InChIInChI=1S/C25H30F2N4O3/c1-14-9-22(34-4)17(24(32)29-14)10-28-25(33)23-15(2)31(21-8-6-5-7-16(21)23)11-18-19(26)12-30(3)13-20(18)27/h5-9,18-20H,10-13H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyAYNCLZPBCUBGAC-UHFFFAOYSA-N
XLogP3.12
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-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-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 144791389) is 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-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(CC2C(F)CN(C)CC2F)c2ccccc12.
What is the InChIKey of 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is AYNCLZPBCUBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-14-9-22(34-4)17(24(32)29-14)10-28-25(33)23-15(2)31(21-8-6-5-7-16(21)23)11-18-19(26)12-30(3)13-20(18)27/h5-9,18-20H,10-13H2,1-4H3,(H,28,33)(H,29,32).
What are the key properties of 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).