1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid

C25H19F3N2O3 — CID 143715603

IUPAC1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid
SMILESC/C=C\c1c(F)cc2c(c1C)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F
InChIInChI=1S/C25H19F3N2O3/c1-3-5-16-13(2)21-20(11-19(16)28)30(12-14-10-15(26)7-8-18(14)27)23(25(32)33)22(21)17-6-4-9-29-24(17)31/h3-11H,12H2,1-2H3,(H,29,31)(H,32,33)/b5-3-
InChIKeyZWOOXMCJHKMQCY-HYXAFXHYSA-N
MW452.43 g/mol
LogP5.50
Rot. Bonds5

About 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid

1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid (PubChem CID 143715603) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid
PubChem CID143715603
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid
SMILESC/C=C\c1c(F)cc2c(c1C)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F
InChIInChI=1S/C25H19F3N2O3/c1-3-5-16-13(2)21-20(11-19(16)28)30(12-14-10-15(26)7-8-18(14)27)23(25(32)33)22(21)17-6-4-9-29-24(17)31/h3-11H,12H2,1-2H3,(H,29,31)(H,32,33)/b5-3-
InChIKeyZWOOXMCJHKMQCY-HYXAFXHYSA-N
XLogP5.50
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25173785
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
CID 25173464
1-[(2,5-difluorophenyl)methyl]-5-[(1S,2R)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 163611991
3-[1-[[2,4-dimethyl-5-(2-methylprop-2-enyl)phenyl]methyl]-2-(1-hydroxyethenyl)-4,6-dimethyl-5-[(Z)-prop-1-enyl]indol-3-yl]-1H-pyridin-2-one
CID 143715952
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
CID 59283330
6-fluoro-1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 25225834
6-[(2,4-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25172915
1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxamide
CID 25167972
1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240990
3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
CID 59622954
[3-[[2-carboxy-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indol-1-yl]methyl]-4-fluorophenyl]-methoxy-oxoazanium
CID 163975680

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid (CID 143715603) is 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid is C/C=C\c1c(F)cc2c(c1C)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid?
The InChIKey is ZWOOXMCJHKMQCY-HYXAFXHYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c1-3-5-16-13(2)21-20(11-19(16)28)30(12-14-10-15(26)7-8-18(14)27)23(25(32)33)22(21)17-6-4-9-29-24(17)31/h3-11H,12H2,1-2H3,(H,29,31)(H,32,33)/b5-3-.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid?
1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid has a molecular weight of 452.43 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid is sourced from PubChem (CID 143715603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).