4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one

C14H15ClN2O2 — CID 134328662

IUPAC4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one
SMILESO=C1CCC(C(O)c2cc(Cl)cc3cncn23)CC1
InChIInChI=1S/C14H15ClN2O2/c15-10-5-11-7-16-8-17(11)13(6-10)14(19)9-1-3-12(18)4-2-9/h5-9,14,19H,1-4H2
InChIKeyHRSFQRARJWEZQA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.78
Rot. Bonds2

About 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one

4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one (PubChem CID 134328662) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one
PubChem CID134328662
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one
SMILESO=C1CCC(C(O)c2cc(Cl)cc3cncn23)CC1
InChIInChI=1S/C14H15ClN2O2/c15-10-5-11-7-16-8-17(11)13(6-10)14(19)9-1-3-12(18)4-2-9/h5-9,14,19H,1-4H2
InChIKeyHRSFQRARJWEZQA-UHFFFAOYSA-N
XLogP2.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one?
The IUPAC name of 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one (CID 134328662) is 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one?
The canonical SMILES for 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one is O=C1CCC(C(O)c2cc(Cl)cc3cncn23)CC1.
What is the InChIKey of 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one?
The InChIKey is HRSFQRARJWEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-5-11-7-16-8-17(11)13(6-10)14(19)9-1-3-12(18)4-2-9/h5-9,14,19H,1-4H2.
What are the key properties of 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one?
4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one has a molecular weight of 278.74 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-one is sourced from PubChem (CID 134328662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).