2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid

C21H18N4O3 — CID 135313175

IUPAC2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid
SMILESCc1ccccc1-c1cc2ccc(NC(=O)c3ccnn3C)cc2n1C(=O)O
InChIInChI=1S/C21H18N4O3/c1-13-5-3-4-6-16(13)19-11-14-7-8-15(12-18(14)25(19)21(27)28)23-20(26)17-9-10-22-24(17)2/h3-12H,1-2H3,(H,23,26)(H,27,28)
InChIKeyFGUSLMFBIWQXJR-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid

2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid (PubChem CID 135313175) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid
PubChem CID135313175
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid
SMILESCc1ccccc1-c1cc2ccc(NC(=O)c3ccnn3C)cc2n1C(=O)O
InChIInChI=1S/C21H18N4O3/c1-13-5-3-4-6-16(13)19-11-14-7-8-15(12-18(14)25(19)21(27)28)23-20(26)17-9-10-22-24(17)2/h3-12H,1-2H3,(H,23,26)(H,27,28)
InChIKeyFGUSLMFBIWQXJR-UHFFFAOYSA-N
XLogP4.13
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid (CID 135313175) is 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid is Cc1ccccc1-c1cc2ccc(NC(=O)c3ccnn3C)cc2n1C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid?
The InChIKey is FGUSLMFBIWQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-5-3-4-6-16(13)19-11-14-7-8-15(12-18(14)25(19)21(27)28)23-20(26)17-9-10-22-24(17)2/h3-12H,1-2H3,(H,23,26)(H,27,28).
What are the key properties of 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid?
2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]indole-1-carboxylic acid is sourced from PubChem (CID 135313175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).