4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid

C18H15N3O3 — CID 157037563

IUPAC4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCOc1cccc(-n2c3ccc(C(=O)O)cc3c3cn(C)nc32)c1
InChIInChI=1S/C18H15N3O3/c1-20-10-15-14-8-11(18(22)23)6-7-16(14)21(17(15)19-20)12-4-3-5-13(9-12)24-2/h3-10H,1-2H3,(H,22,23)
InChIKeyGLUSLJACQKKQQW-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.22
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid

4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid (PubChem CID 157037563) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
PubChem CID157037563
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCOc1cccc(-n2c3ccc(C(=O)O)cc3c3cn(C)nc32)c1
InChIInChI=1S/C18H15N3O3/c1-20-10-15-14-8-11(18(22)23)6-7-16(14)21(17(15)19-20)12-4-3-5-13(9-12)24-2/h3-10H,1-2H3,(H,22,23)
InChIKeyGLUSLJACQKKQQW-UHFFFAOYSA-N
XLogP3.22
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037917
4-[2-deuterio-3-(trifluoromethyl)phenyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 175991037
4-[2-deuterio-4-(trifluoromethoxy)phenyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 175991093
2-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037224
2-methyl-4-[4-(3,3,3-trifluoro-1-hydroxypropyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037380
2-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037013
2-methyl-4-[4-(trifluoromethoxy)-2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037235
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037094
1-(3-methoxyphenyl)benzotriazole-5-carboxylic acid
CID 29077186
ethyl 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
CID 157037645
3-[2-(4-methoxy-2-methylphenyl)benzo[e]indol-3-yl]benzoic acid
CID 59214606
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 168788000

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The IUPAC name of 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid (CID 157037563) is 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The canonical SMILES for 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid is COc1cccc(-n2c3ccc(C(=O)O)cc3c3cn(C)nc32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The InChIKey is GLUSLJACQKKQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-20-10-15-14-8-11(18(22)23)6-7-16(14)21(17(15)19-20)12-4-3-5-13(9-12)24-2/h3-10H,1-2H3,(H,22,23).
What are the key properties of 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).