3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid

C16H18N2O2 — CID 82093123

IUPAC3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)n2c1CCCC2
InChIInChI=1S/C16H18N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)16(17-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20)
InChIKeyZJQYMXMTCKWQPQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid

3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid (PubChem CID 82093123) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
PubChem CID82093123
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)n2c1CCCC2
InChIInChI=1S/C16H18N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)16(17-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20)
InChIKeyZJQYMXMTCKWQPQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83648755
azocan-1-yl-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55628775
[3-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116836872
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248071
N-(2-morpholin-4-ylethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 35994381
N-[(3R)-3-hydroxypentyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 97025620
(4-ethoxypiperidin-1-yl)-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55976858
(3-methyloxetan-3-yl)methyl 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylate
CID 47590267
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 86974087
methyl (2S)-2-[(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)amino]propanoate
CID 87040351
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 38750294
N'-(furan-2-carbonyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide
CID 35701640

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The IUPAC name of 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid (CID 82093123) is 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid is O=C(O)CCc1nc(-c2ccccc2)n2c1CCCC2.
What is the InChIKey of 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The InChIKey is ZJQYMXMTCKWQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)16(17-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20).
What are the key properties of 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 82093123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).