3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid

C18H16N2O3 — CID 134328666

IUPAC3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid
SMILESO=C(O)c1cccc(C(O)c2c(C3CC3)ccn3cncc23)c1
InChIInChI=1S/C18H16N2O3/c21-17(12-2-1-3-13(8-12)18(22)23)16-14(11-4-5-11)6-7-20-10-19-9-15(16)20/h1-3,6-11,17,21H,4-5H2,(H,22,23)
InChIKeyBGMOFEALMFHWJQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.99
Rot. Bonds4

About 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid

3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid (PubChem CID 134328666) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid.

Molecular Properties

Compound Name3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid
PubChem CID134328666
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid
SMILESO=C(O)c1cccc(C(O)c2c(C3CC3)ccn3cncc23)c1
InChIInChI=1S/C18H16N2O3/c21-17(12-2-1-3-13(8-12)18(22)23)16-14(11-4-5-11)6-7-20-10-19-9-15(16)20/h1-3,6-11,17,21H,4-5H2,(H,22,23)
InChIKeyBGMOFEALMFHWJQ-UHFFFAOYSA-N
XLogP2.99
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol
CID 145166858
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(3-methylphenyl)cyclohexyl]methanol
CID 134381079
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
CID 134381351
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-quinolin-5-ylcyclohexyl)methanol
CID 134381125
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-pyridin-3-ylpiperidin-4-yl)methanol
CID 134381744
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(furan-3-yl)cyclohexyl]methanol
CID 134381555
[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
CID 140850623
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(4-methoxyphenyl)cyclohexyl]methanol
CID 134381640
CID 160925822
CID 160925822
CID 158291014
CID 158291014
1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-2-(1-tricyclo[5.3.1.04,9]undecanyl)ethanol
CID 134343945
[4-(4-chlorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;dohecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontayne
CID 159812288

Frequently Asked Questions

What is the IUPAC name of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid?
The IUPAC name of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid (CID 134328666) is 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid.
What is the SMILES notation for 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid?
The canonical SMILES for 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid is O=C(O)c1cccc(C(O)c2c(C3CC3)ccn3cncc23)c1.
What is the InChIKey of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid?
The InChIKey is BGMOFEALMFHWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(12-2-1-3-13(8-12)18(22)23)16-14(11-4-5-11)6-7-20-10-19-9-15(16)20/h1-3,6-11,17,21H,4-5H2,(H,22,23).
What are the key properties of 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid?
3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid is sourced from PubChem (CID 134328666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).