[4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone

C23H22ClFN2O — CID 134382057

IUPAC[4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
SMILESO=C(c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C23H22ClFN2O/c24-19-11-17(7-8-20(19)25)14-1-5-16(6-2-14)23(28)22-18(15-3-4-15)9-10-27-13-26-12-21(22)27/h7-16H,1-6H2
InChIKeyKKBMZVAVYMRNKL-UHFFFAOYSA-N
MW396.89 g/mol
LogP6.16
Rot. Bonds4

About [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone

[4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone (PubChem CID 134382057) has the molecular formula C23H22ClFN2O and a molecular weight of 396.89 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
PubChem CID134382057
Molecular FormulaC23H22ClFN2O
Molecular Weight396.89 g/mol
Exact Mass396.14
IUPAC Name[4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
SMILESO=C(c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C23H22ClFN2O/c24-19-11-17(7-8-20(19)25)14-1-5-16(6-2-14)23(28)22-18(15-3-4-15)9-10-27-13-26-12-21(22)27/h7-16H,1-6H2
InChIKeyKKBMZVAVYMRNKL-UHFFFAOYSA-N
XLogP6.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.89
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone (CID 134382057) is [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone is O=C(c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
The InChIKey is KKBMZVAVYMRNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O/c24-19-11-17(7-8-20(19)25)14-1-5-16(6-2-14)23(28)22-18(15-3-4-15)9-10-27-13-26-12-21(22)27/h7-16H,1-6H2.
What are the key properties of [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
[4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone has a molecular weight of 396.89 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone is sourced from PubChem (CID 134382057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).