6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid

C20H16F3N5O3 — CID 118914248

IUPAC6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESCOc1ccccc1Nc1cc2c(cn1)cc(-c1cnn(CC(F)(F)F)c1)n2C(=O)O
InChIInChI=1S/C20H16F3N5O3/c1-31-17-5-3-2-4-14(17)26-18-7-16-12(8-24-18)6-15(28(16)19(29)30)13-9-25-27(10-13)11-20(21,22)23/h2-10H,11H2,1H3,(H,24,26)(H,29,30)
InChIKeyGYGZUJYFAMVURZ-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.74
Rot. Bonds5

About 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid

6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid (PubChem CID 118914248) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
PubChem CID118914248
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESCOc1ccccc1Nc1cc2c(cn1)cc(-c1cnn(CC(F)(F)F)c1)n2C(=O)O
InChIInChI=1S/C20H16F3N5O3/c1-31-17-5-3-2-4-14(17)26-18-7-16-12(8-24-18)6-15(28(16)19(29)30)13-9-25-27(10-13)11-20(21,22)23/h2-10H,11H2,1H3,(H,24,26)(H,29,30)
InChIKeyGYGZUJYFAMVURZ-UHFFFAOYSA-N
XLogP4.74
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 73388688
tert-butyl 6-(2-acetylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548459
tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548457
4-[[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]isoquinolin-3-yl]amino]-3-methoxybenzaldehyde
CID 122603535
N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 174997515
propan-2-yl 6-[4-[(Z)-2-amino-1-[amino(methyl)amino]ethenyl]-2-methoxyanilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 139516124
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
N-[4-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-pyridinyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-amine
CID 172626876
1-[4-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1,6-naphthyridin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 73388690
2-N-(2-methoxyphenyl)-5-methylpyridine-2,4-diamine
CID 83265211
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoic acid
CID 70702136

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The IUPAC name of 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid (CID 118914248) is 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The canonical SMILES for 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid is COc1ccccc1Nc1cc2c(cn1)cc(-c1cnn(CC(F)(F)F)c1)n2C(=O)O.
What is the InChIKey of 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The InChIKey is GYGZUJYFAMVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-31-17-5-3-2-4-14(17)26-18-7-16-12(8-24-18)6-15(28(16)19(29)30)13-9-25-27(10-13)11-20(21,22)23/h2-10H,11H2,1H3,(H,24,26)(H,29,30).
What are the key properties of 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid?
6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid has a molecular weight of 431.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 118914248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).