1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid

C21H16N2O2 — CID 58306802

IUPAC1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(Cc3ccc(-c4cccnc4)cc3)c12
InChIInChI=1S/C21H16N2O2/c24-21(25)19-5-1-3-17-10-12-23(20(17)19)14-15-6-8-16(9-7-15)18-4-2-11-22-13-18/h1-13H,14H2,(H,24,25)
InChIKeyMBVBTACHXLSMKE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.45
Rot. Bonds4

About 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid

1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid (PubChem CID 58306802) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
PubChem CID58306802
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(Cc3ccc(-c4cccnc4)cc3)c12
InChIInChI=1S/C21H16N2O2/c24-21(25)19-5-1-3-17-10-12-23(20(17)19)14-15-6-8-16(9-7-15)18-4-2-11-22-13-18/h1-13H,14H2,(H,24,25)
InChIKeyMBVBTACHXLSMKE-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
1-(quinolin-7-ylmethyl)indole-7-carboxylic acid
CID 58306698
1-(1,3-thiazol-5-ylmethyl)indole-7-carboxylic acid
CID 112641095
4-[(1S)-1-[[5-(4-fluorophenyl)-1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772858
1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252354
4-[1-[[1-[(3-chlorophenyl)methyl]-5-pyridin-3-ylindole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176772247
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-azulen-6-ylpyridine
CID 86232079
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid?
The IUPAC name of 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid (CID 58306802) is 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid.
What is the SMILES notation for 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid?
The canonical SMILES for 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid is O=C(O)c1cccc2ccn(Cc3ccc(-c4cccnc4)cc3)c12.
What is the InChIKey of 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid?
The InChIKey is MBVBTACHXLSMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(25)19-5-1-3-17-10-12-23(20(17)19)14-15-6-8-16(9-7-15)18-4-2-11-22-13-18/h1-13H,14H2,(H,24,25).
What are the key properties of 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid?
1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid is sourced from PubChem (CID 58306802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).