2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

C23H18N4O3 — CID 146095796

IUPAC2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)N3Cc4ccc(C(=O)O)cc4C3)cc12
InChIInChI=1S/C23H18N4O3/c1-14-20-10-17(11-24-21(20)27(25-14)19-5-3-2-4-6-19)22(28)26-12-16-8-7-15(23(29)30)9-18(16)13-26/h2-11H,12-13H2,1H3,(H,29,30)
InChIKeyZLPXIIPTVCOWNY-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.58
Rot. Bonds3

About 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 146095796) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID146095796
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)N3Cc4ccc(C(=O)O)cc4C3)cc12
InChIInChI=1S/C23H18N4O3/c1-14-20-10-17(11-24-21(20)27(25-14)19-5-3-2-4-6-19)22(28)26-12-16-8-7-15(23(29)30)9-18(16)13-26/h2-11H,12-13H2,1H3,(H,29,30)
InChIKeyZLPXIIPTVCOWNY-UHFFFAOYSA-N
XLogP3.58
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778863
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
2-(quinoline-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580054
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
2-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997156

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 146095796) is 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is Cc1nn(-c2ccccc2)c2ncc(C(=O)N3Cc4ccc(C(=O)O)cc4C3)cc12.
What is the InChIKey of 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is ZLPXIIPTVCOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-14-20-10-17(11-24-21(20)27(25-14)19-5-3-2-4-6-19)22(28)26-12-16-8-7-15(23(29)30)9-18(16)13-26/h2-11H,12-13H2,1H3,(H,29,30).
What are the key properties of 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 398.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 146095796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).