3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C14H13FN2O2 — CID 83658407

IUPAC3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2cnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C14H13FN2O2/c15-11-4-1-9(2-5-11)13-16-7-12-6-3-10(14(18)19)8-17(12)13/h1-2,4-5,7,10H,3,6,8H2,(H,18,19)
InChIKeyNBNLGPWBDJHGPN-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.34
Rot. Bonds2

About 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 83658407) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID83658407
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2cnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C14H13FN2O2/c15-11-4-1-9(2-5-11)13-16-7-12-6-3-10(14(18)19)8-17(12)13/h1-2,4-5,7,10H,3,6,8H2,(H,18,19)
InChIKeyNBNLGPWBDJHGPN-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride
CID 136705411
3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83664545
3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869831
4-(6-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158645
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83641939
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83646498
2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid
CID 105492336
3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147809
3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117158640
4-(6-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 136699706
3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117158639
3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 83639864

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 83658407) is 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2cnc(-c3ccc(F)cc3)n2C1.
What is the InChIKey of 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is NBNLGPWBDJHGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-4-1-9(2-5-11)13-16-7-12-6-3-10(14(18)19)8-17(12)13/h1-2,4-5,7,10H,3,6,8H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83658407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).