4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid

C24H20N2O2 — CID 154550993

IUPAC4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc3cc(C4CCC4)ccc3n2-c2cccnc2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)18-8-6-17(7-9-18)23-14-20-13-19(16-3-1-4-16)10-11-22(20)26(23)21-5-2-12-25-15-21/h2,5-16H,1,3-4H2,(H,27,28)
InChIKeyLAEYVKVXDDEYTQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.66
Rot. Bonds4

About 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid

4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid (PubChem CID 154550993) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid
PubChem CID154550993
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc3cc(C4CCC4)ccc3n2-c2cccnc2)cc1
InChIInChI=1S/C24H20N2O2/c27-24(28)18-8-6-17(7-9-18)23-14-20-13-19(16-3-1-4-16)10-11-22(20)26(23)21-5-2-12-25-15-21/h2,5-16H,1,3-4H2,(H,27,28)
InChIKeyLAEYVKVXDDEYTQ-UHFFFAOYSA-N
XLogP5.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-cyclobutyl-2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
CID 143553015
2-phenyl-1-pyridin-3-ylindole
CID 59214542
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid
CID 59214672
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90153154
3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
CID 59214501
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
CID 116505569
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide
CID 157341268
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 97067813
3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 69244736

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid?
The IUPAC name of 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid (CID 154550993) is 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid?
The canonical SMILES for 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid is O=C(O)c1ccc(-c2cc3cc(C4CCC4)ccc3n2-c2cccnc2)cc1.
What is the InChIKey of 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid?
The InChIKey is LAEYVKVXDDEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(28)18-8-6-17(7-9-18)23-14-20-13-19(16-3-1-4-16)10-11-22(20)26(23)21-5-2-12-25-15-21/h2,5-16H,1,3-4H2,(H,27,28).
What are the key properties of 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid?
4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid has a molecular weight of 368.44 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid is sourced from PubChem (CID 154550993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).