1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide

C25H18F2N4O2S — CID 59362341

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc3cn[nH]c3c2)s1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H18F2N4O2S/c26-20-7-3-15(10-21(20)27)14-31-9-1-2-19(25(31)33)24(32)28-13-18-6-8-23(34-18)16-4-5-17-12-29-30-22(17)11-16/h1-12H,13-14H2,(H,28,32)(H,29,30)
InChIKeyQPRGMHPWIHFGAR-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.71
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362341) has the molecular formula C25H18F2N4O2S and a molecular weight of 476.51 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID59362341
Molecular FormulaC25H18F2N4O2S
Molecular Weight476.51 g/mol
Exact Mass476.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc3cn[nH]c3c2)s1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C25H18F2N4O2S/c26-20-7-3-15(10-21(20)27)14-31-9-1-2-19(25(31)33)24(32)28-13-18-6-8-23(34-18)16-4-5-17-12-29-30-22(17)11-16/h1-12H,13-14H2,(H,28,32)(H,29,30)
InChIKeyQPRGMHPWIHFGAR-UHFFFAOYSA-N
XLogP4.71
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-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-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide (CID 59362341) is 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide is O=C(NCc1ccc(-c2ccc3cn[nH]c3c2)s1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QPRGMHPWIHFGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2S/c26-20-7-3-15(10-21(20)27)14-31-9-1-2-19(25(31)33)24(32)28-13-18-6-8-23(34-18)16-4-5-17-12-29-30-22(17)11-16/h1-12H,13-14H2,(H,28,32)(H,29,30).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[[5-(1H-indazol-6-yl)thiophen-2-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).