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

C19H23N3O3 — CID 157037868

IUPAC4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCOC1CCC(Cn2c3ccc(C(=O)O)cc3c3cn(C)nc32)CC1
InChIInChI=1S/C19H23N3O3/c1-21-11-16-15-9-13(19(23)24)5-8-17(15)22(18(16)20-21)10-12-3-6-14(25-2)7-4-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,23,24)
InChIKeyBQIITSCBGYSJNV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds4

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

4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid (PubChem CID 157037868) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
PubChem CID157037868
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCOC1CCC(Cn2c3ccc(C(=O)O)cc3c3cn(C)nc32)CC1
InChIInChI=1S/C19H23N3O3/c1-21-11-16-15-9-13(19(23)24)5-8-17(15)22(18(16)20-21)10-12-3-6-14(25-2)7-4-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,23,24)
InChIKeyBQIITSCBGYSJNV-UHFFFAOYSA-N
XLogP3.43
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid with MolForge

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Related Compounds

2-Methyl-8-(4-(trifluoromethyl)phenyl)-2,8-dihydropyrazolo[3,4-B]indole-5-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-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
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331
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-[(2-Benzylpyrazol-3-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71226159
US10214537, Example 13
CID 132210105
2-Methyl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157036977
2-Methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037101
4-[2-Fluoro-4-(trifluoromethoxy)phenyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037216
4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid
CID 157037238

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The IUPAC name of 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid (CID 157037868) is 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The canonical SMILES for 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid is COC1CCC(Cn2c3ccc(C(=O)O)cc3c3cn(C)nc32)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
The InChIKey is BQIITSCBGYSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-11-16-15-9-13(19(23)24)5-8-17(15)22(18(16)20-21)10-12-3-6-14(25-2)7-4-12/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,23,24).
What are the key properties of 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid?
4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)methyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).