1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid

C17H13N3O2 — CID 123906723

IUPAC1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid
SMILESCn1c(-c2ccccc2)c(C(=O)O)c2ccc3[nH]ncc3c21
InChIInChI=1S/C17H13N3O2/c1-20-15(10-5-3-2-4-6-10)14(17(21)22)11-7-8-13-12(16(11)20)9-18-19-13/h2-9H,1H3,(H,18,19)(H,21,22)
InChIKeyQQLVSINBIAMOJD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.42
Rot. Bonds2

About 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid

1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid (PubChem CID 123906723) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid
PubChem CID123906723
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid
SMILESCn1c(-c2ccccc2)c(C(=O)O)c2ccc3[nH]ncc3c21
InChIInChI=1S/C17H13N3O2/c1-20-15(10-5-3-2-4-6-10)14(17(21)22)11-7-8-13-12(16(11)20)9-18-19-13/h2-9H,1H3,(H,18,19)(H,21,22)
InChIKeyQQLVSINBIAMOJD-UHFFFAOYSA-N
XLogP3.42
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575
6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
CID 39202461
4-methoxy-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid
CID 67319956
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
1-methyl-3-oxo-2,5-diphenylpyrazole-4-carboxylic acid
CID 170985188
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
1H-indazol-4-amine;2-methylpropanoic acid
CID 159051220
1-chloro-2-phenylindole-3-carboxylic acid
CID 174717674
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
[1-methyl-5-(4-methyl-1H-indazol-5-yl)pyrrol-2-yl]-piperidin-1-ylmethanone
CID 167028621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid?
The IUPAC name of 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid (CID 123906723) is 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid is Cn1c(-c2ccccc2)c(C(=O)O)c2ccc3[nH]ncc3c21.
What is the InChIKey of 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid?
The InChIKey is QQLVSINBIAMOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-20-15(10-5-3-2-4-6-10)14(17(21)22)11-7-8-13-12(16(11)20)9-18-19-13/h2-9H,1H3,(H,18,19)(H,21,22).
What are the key properties of 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid?
1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid is sourced from PubChem (CID 123906723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).