[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone

C24H25ClN2O2 — CID 134381423

IUPAC[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone
SMILESCOc1ccc(C2CCC(C(=O)c3c(C4CC4)ccc4cncn34)CC2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-29-19-9-11-20(22(25)12-19)15-4-6-17(7-5-15)24(28)23-21(16-2-3-16)10-8-18-13-26-14-27(18)23/h8-17H,2-7H2,1H3
InChIKeyAJXBPVHMPURRFX-UHFFFAOYSA-N
MW408.93 g/mol
LogP6.03
Rot. Bonds5

About [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone

[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone (PubChem CID 134381423) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone
PubChem CID134381423
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone
SMILESCOc1ccc(C2CCC(C(=O)c3c(C4CC4)ccc4cncn34)CC2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-29-19-9-11-20(22(25)12-19)15-4-6-17(7-5-15)24(28)23-21(16-2-3-16)10-8-18-13-26-14-27(18)23/h8-17H,2-7H2,1H3
InChIKeyAJXBPVHMPURRFX-UHFFFAOYSA-N
XLogP6.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone (CID 134381423) is [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone is COc1ccc(C2CCC(C(=O)c3c(C4CC4)ccc4cncn34)CC2)c(Cl)c1.
What is the InChIKey of [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is AJXBPVHMPURRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-29-19-9-11-20(22(25)12-19)15-4-6-17(7-5-15)24(28)23-21(16-2-3-16)10-8-18-13-26-14-27(18)23/h8-17H,2-7H2,1H3.
What are the key properties of [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone?
[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 408.93 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 134381423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).