(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane

C25H29FN2O — CID 142308297

IUPAC(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane
SMILESCC.O=C(c1c(C2CC2)ccc2cncn12)C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN2O.C2H6/c24-19-9-7-16(8-10-19)15-1-5-18(6-2-15)23(27)22-21(17-3-4-17)12-11-20-13-25-14-26(20)22;1-2/h7-15,17-18H,1-6H2;1-2H3
InChIKeyVYLLRWMGVAKSEK-UHFFFAOYSA-N
MW392.52 g/mol
LogP6.53
Rot. Bonds4

About (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane

(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane (PubChem CID 142308297) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane.

Molecular Properties

Compound Name(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane
PubChem CID142308297
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane
SMILESCC.O=C(c1c(C2CC2)ccc2cncn12)C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN2O.C2H6/c24-19-9-7-16(8-10-19)15-1-5-18(6-2-15)23(27)22-21(17-3-4-17)12-11-20-13-25-14-26(20)22;1-2/h7-15,17-18H,1-6H2;1-2H3
InChIKeyVYLLRWMGVAKSEK-UHFFFAOYSA-N
XLogP6.53
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methanone
CID 134381665
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(2,4-difluorophenyl)cyclohexyl]methanone
CID 134381771
4-[4-(6-cyclopropylimidazo[1,5-a]pyridine-5-carbonyl)cyclohexyl]-N,N-dimethylbenzamide
CID 134381245
[4-(2-chloro-4-methoxyphenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanone
CID 134381423
1-[4-(4-fluorophenyl)cyclohexyl]ethanone
CID 15047101
1-[4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenyl]-3-methylurea
CID 155456102
5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine
CID 134381220
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-methoxyphenyl)cyclohexyl]methanol
CID 134381765
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(4-fluorophenyl)piperidin-4-yl]methanol
CID 159040858
[4-(4-bromophenyl)cyclohexyl]-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134381260
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-phenylcyclohexyl)methanol
CID 134381324
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(3-fluorophenyl)cyclohexyl]methanone
CID 134381318

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane?
The IUPAC name of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane (CID 142308297) is (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane.
What is the SMILES notation for (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane?
The canonical SMILES for (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane is CC.O=C(c1c(C2CC2)ccc2cncn12)C1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane?
The InChIKey is VYLLRWMGVAKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O.C2H6/c24-19-9-7-16(8-10-19)15-1-5-18(6-2-15)23(27)22-21(17-3-4-17)12-11-20-13-25-14-26(20)22;1-2/h7-15,17-18H,1-6H2;1-2H3.
What are the key properties of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane?
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane has a molecular weight of 392.52 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[4-(4-fluorophenyl)cyclohexyl]methanone;ethane is sourced from PubChem (CID 142308297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).