8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine

C24H26ClFN2 — CID 142308104

IUPAC8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine
SMILESC[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C24H26ClFN2/c1-15(24-20(18-6-7-18)10-11-28-14-27-13-23(24)28)16-2-4-17(5-3-16)19-8-9-22(26)21(25)12-19/h8-18H,2-7H2,1H3/t15-,16?,17?/m0/s1
InChIKeyJLDYOIXKEVIDBO-GTPINHCMSA-N
MW396.94 g/mol
LogP7.08
Rot. Bonds4

About 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine

8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine (PubChem CID 142308104) has the molecular formula C24H26ClFN2 and a molecular weight of 396.94 g/mol. Its IUPAC name is 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine
PubChem CID142308104
Molecular FormulaC24H26ClFN2
Molecular Weight396.94 g/mol
Exact Mass396.18
IUPAC Name8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine
SMILESC[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C24H26ClFN2/c1-15(24-20(18-6-7-18)10-11-28-14-27-13-23(24)28)16-2-4-17(5-3-16)19-8-9-22(26)21(25)12-19/h8-18H,2-7H2,1H3/t15-,16?,17?/m0/s1
InChIKeyJLDYOIXKEVIDBO-GTPINHCMSA-N
XLogP7.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.94
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine?
The IUPAC name of 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine (CID 142308104) is 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine.
What is the SMILES notation for 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine?
The canonical SMILES for 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine is C[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine?
The InChIKey is JLDYOIXKEVIDBO-GTPINHCMSA-N. The full InChI is InChI=1S/C24H26ClFN2/c1-15(24-20(18-6-7-18)10-11-28-14-27-13-23(24)28)16-2-4-17(5-3-16)19-8-9-22(26)21(25)12-19/h8-18H,2-7H2,1H3/t15-,16?,17?/m0/s1.
What are the key properties of 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine?
8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine has a molecular weight of 396.94 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-[4-(3-chloro-4-fluorophenyl)cyclohexyl]ethyl]-7-cyclopropylimidazo[1,5-a]pyridine is sourced from PubChem (CID 142308104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).