2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid

C20H14FN5O2 — CID 118626653

IUPAC2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid
SMILESCc1nc(-c2ccc(C#N)c(F)c2)n(-c2ccc3nn(C)cc3c2)c1C(=O)O
InChIInChI=1S/C20H14FN5O2/c1-11-18(20(27)28)26(15-5-6-17-14(7-15)10-25(2)24-17)19(23-11)12-3-4-13(9-22)16(21)8-12/h3-8,10H,1-2H3,(H,27,28)
InChIKeyMDDKECSCNXRSDO-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid

2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid (PubChem CID 118626653) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid
PubChem CID118626653
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Name2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid
SMILESCc1nc(-c2ccc(C#N)c(F)c2)n(-c2ccc3nn(C)cc3c2)c1C(=O)O
InChIInChI=1S/C20H14FN5O2/c1-11-18(20(27)28)26(15-5-6-17-14(7-15)10-25(2)24-17)19(23-11)12-3-4-13(9-22)16(21)8-12/h3-8,10H,1-2H3,(H,27,28)
InChIKeyMDDKECSCNXRSDO-UHFFFAOYSA-N
XLogP3.44
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile
CID 166907852
4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-5-methyl-1-(2-methylindazol-5-yl)-6-oxopyrimidin-2-yl]-2-fluorobenzonitrile
CID 129125412
4-[4-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-5-fluoro-1-(2-methylindazol-5-yl)-6-oxopyrimidin-2-yl]-2-fluorobenzonitrile
CID 129125242
4-[4-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-1-(2-methylindazol-5-yl)-6-oxopyrimidin-2-yl]-2-fluorobenzonitrile
CID 118632994
4-[5-chloro-1-(2,3-dimethylindazol-5-yl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile
CID 166907714
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(2-methylindazol-6-yl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745506
4-[1,5-dimethyl-2-(2-methylindazol-5-yl)pyrrol-3-yl]-2-fluorobenzonitrile
CID 166907779
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(2-methylindazol-6-yl)-5-(trifluoromethyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745808
4-[4-[(3R)-3-aminopiperidine-1-carbonyl]-5-chloro-1-(2-methylindazol-6-yl)imidazol-2-yl]-2-fluorobenzonitrile
CID 118642934
4-[3-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-5-(2-methylindazol-5-yl)pyrazol-1-yl]-2-fluorobenzonitrile
CID 122629362
4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile
CID 166907905
4-[5-chloro-1-(2,3-dimethylindazol-5-yl)-4-formylimidazol-2-yl]-2-fluorobenzonitrile
CID 144991227

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid (CID 118626653) is 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid is Cc1nc(-c2ccc(C#N)c(F)c2)n(-c2ccc3nn(C)cc3c2)c1C(=O)O.
What is the InChIKey of 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid?
The InChIKey is MDDKECSCNXRSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c1-11-18(20(27)28)26(15-5-6-17-14(7-15)10-25(2)24-17)19(23-11)12-3-4-13(9-22)16(21)8-12/h3-8,10H,1-2H3,(H,27,28).
What are the key properties of 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid?
2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid has a molecular weight of 375.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenyl)-5-methyl-3-(2-methylindazol-5-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118626653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).