4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid

C20H18N2O2 — CID 59214570

IUPAC4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccn1
InChIInChI=1S/C20H18N2O2/c23-20(24)17-13-16(10-11-21-17)22-18-9-5-4-8-15(18)12-19(22)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,24)
InChIKeyZFBCSZVSMAODSI-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.12
Rot. Bonds3

About 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid

4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid (PubChem CID 59214570) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
PubChem CID59214570
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccn1
InChIInChI=1S/C20H18N2O2/c23-20(24)17-13-16(10-11-21-17)22-18-9-5-4-8-15(18)12-19(22)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,24)
InChIKeyZFBCSZVSMAODSI-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]methanone
CID 20886158
4-[4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)phenyl]butanoic acid
CID 59214556
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
2-phenyl-1-[3-(2H-tetrazol-5-yl)phenyl]-4,5,6,7-tetrahydroindole
CID 59214596
4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 22521987
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)phenyl]methanone
CID 22522057
2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
CID 134097284
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985
4-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid
CID 53212875
N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20886155
4-[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]benzoic acid
CID 53212873
N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid (CID 59214570) is 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccn1.
What is the InChIKey of 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is ZFBCSZVSMAODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(24)17-13-16(10-11-21-17)22-18-9-5-4-8-15(18)12-19(22)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,24).
What are the key properties of 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid?
4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 59214570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).