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

C17H12FN3O2 — CID 157038028

IUPAC4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H12FN3O2/c1-20-9-14-13-8-10(17(22)23)2-7-15(13)21(16(14)19-20)12-5-3-11(18)4-6-12/h2-9H,1H3,(H,22,23)
InChIKeyIDBCNYLYOVWRDM-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.35
Rot. Bonds2

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

4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid (PubChem CID 157038028) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
PubChem CID157038028
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H12FN3O2/c1-20-9-14-13-8-10(17(22)23)2-7-15(13)21(16(14)19-20)12-5-3-11(18)4-6-12/h2-9H,1H3,(H,22,23)
InChIKeyIDBCNYLYOVWRDM-UHFFFAOYSA-N
XLogP3.35
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037366
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
2-[1-[2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225655
4-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
4-Cyclohexyl-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 168279014
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
CID 13663102
2-[1-[2-[[1-(Cyclopropylmethyl)-4-methylpyrazol-5-yl]methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225636
2-[1-[2-[(1,4-Dimethylpyrazol-5-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225800
2-[1-[2-[(2-Benzylpyrazol-3-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71226159
2-[1-[2-[(3-Cyclopropyl-5-methyl-1,2,4-triazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-6-fluoroindol-3-yl]acetic acid
CID 71226404

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid (CID 157038028) is 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid is Cn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The InChIKey is IDBCNYLYOVWRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-20-9-14-13-8-10(17(22)23)2-7-15(13)21(16(14)19-20)12-5-3-11(18)4-6-12/h2-9H,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid has a molecular weight of 309.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid is sourced from PubChem (CID 157038028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).