(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol

C48H50F6N4O2 — CID 160504271

IUPAC(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol
SMILESO[C@@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(C(F)(F)F)cc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/2C24H25F3N2O/c2*25-24(26,27)19-9-7-16(8-10-19)15-1-5-18(6-2-15)23(30)22-20(17-3-4-17)11-12-29-14-28-13-21(22)29/h2*7-15,17-18,23,30H,1-6H2/t2*15?,18?,23-/m10/s1
InChIKeyQSELALCHQPBPAS-KDUFEQIUSA-N
MW828.94 g/mol
LogP12.48
Rot. Bonds8

About (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol

(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol (PubChem CID 160504271) has the molecular formula C48H50F6N4O2 and a molecular weight of 828.94 g/mol. Its IUPAC name is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol.

Molecular Properties

Compound Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol
PubChem CID160504271
Molecular FormulaC48H50F6N4O2
Molecular Weight828.94 g/mol
Exact Mass828.38
IUPAC Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol
SMILESO[C@@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(C(F)(F)F)cc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/2C24H25F3N2O/c2*25-24(26,27)19-9-7-16(8-10-19)15-1-5-18(6-2-15)23(30)22-20(17-3-4-17)11-12-29-14-28-13-21(22)29/h2*7-15,17-18,23,30H,1-6H2/t2*15?,18?,23-/m10/s1
InChIKeyQSELALCHQPBPAS-KDUFEQIUSA-N
XLogP12.48
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.94
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol with MolForge

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Related Compounds

1-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10097785
3-[3-[2,2,2-Trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol
CID 24959458
2,2,2-Trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-(1-methyl-1H-indol-3-yl)ethanol
CID 24959819
3-(2-{3,3-difluoro-2-[4-(5-fluoropyridin-2-yl)phenyl]-2-hydroxypropyl}-1-trityl-1H-imidazol-4-yl)-2,2-dimethylpropan-1-ol
CID 68668071
4-(2-{3,3-difluoro-2-[4-(5-fluoropyridin-2-yl)phenyl]-2-hydroxypropyl}-1-trityl-1H-imidazol-4-yl)-3,3-dimethylbutane-1,2-diol
CID 68668307
4-(2-{3,3-difluoro-2-[4-(5-fluoropyridin-2-yl)phenyl]-2-hydroxypropyl}-1-trityl-1H-imidazol-4-yl)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol
CID 86638505
2-cyclohexyl-1-[7-[(1S,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]ethanol
CID 122604975
cyclohexyl-[7-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol
CID 122605044
cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol
CID 122609308
cyclohexyl-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol
CID 122609310
2-cyclohexyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]ethanol
CID 122609314
Cyclohexyl-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]methanol
CID 122609353

Frequently Asked Questions

What is the IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol?
The IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol (CID 160504271) is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol.
What is the SMILES notation for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol?
The canonical SMILES for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol is O[C@@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(C(F)(F)F)cc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol?
The InChIKey is QSELALCHQPBPAS-KDUFEQIUSA-N. The full InChI is InChI=1S/2C24H25F3N2O/c2*25-24(26,27)19-9-7-16(8-10-19)15-1-5-18(6-2-15)23(30)22-20(17-3-4-17)11-12-29-14-28-13-21(22)29/h2*7-15,17-18,23,30H,1-6H2/t2*15?,18?,23-/m10/s1.
What are the key properties of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol?
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol has a molecular weight of 828.94 g/mol, XLogP of 12.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]methanol is sourced from PubChem (CID 160504271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).