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

C48H50F6N4O4 — CID 158278018

IUPAC(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol
SMILESO[C@@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/2C24H25F3N2O2/c2*25-24(26,27)31-19-9-7-16(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
InChIKeyGJVWUDJDOZSGMM-KDUFEQIUSA-N
MW860.94 g/mol
LogP12.24
Rot. Bonds10

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

(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol (PubChem CID 158278018) has the molecular formula C48H50F6N4O4 and a molecular weight of 860.94 g/mol. Its IUPAC name is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol.

Molecular Properties

Compound Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol
PubChem CID158278018
Molecular FormulaC48H50F6N4O4
Molecular Weight860.94 g/mol
Exact Mass860.37
IUPAC Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol
SMILESO[C@@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/2C24H25F3N2O2/c2*25-24(26,27)31-19-9-7-16(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
InChIKeyGJVWUDJDOZSGMM-KDUFEQIUSA-N
XLogP12.24
TPSA93.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.94
LogP ≤ 512.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

[4-[8-(4-Methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]phenyl]methanol
CID 134806689
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-7-methoxy-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[4,5-b]indole
CID 170973137
(1S)-1-[(3R)-3-amino-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(pyrrolo[3,2-d]pyrimidin-5-ylmethyl)-3-pyridinyl]piperidin-3-yl]-2,2-difluoroethanol
CID 176734155
(1S)-1-[(3R)-3-amino-1-[4-(benzimidazol-1-ylmethyl)-6-(2,5-difluoro-4-methoxyphenyl)-3-pyridinyl]piperidin-3-yl]-2,2-difluoroethanol
CID 176734156
2-[2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[4,5-b]indol-7-yl]propan-2-ol
CID 178255016
2-[2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[4,5-b]indol-7-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 178255083
[3-[3-(4-Methoxyphenyl)-1-[6-(methylamino)pyrimidin-4-yl]indol-6-yl]anilino]-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methanol
CID 70795226
5-[[4-[3-(4-Imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 91123091
2-[3-(3,5-Dimethylimidazol-4-yl)-5-[(2-fluoro-4-methoxyphenyl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 122675768
2-[5-[(2,3-Difluoro-4-methoxyphenyl)-(oxan-4-yl)methyl]-3-(3,5-dimethylimidazol-4-yl)pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 122675774
2-[5-[(2,5-Difluoro-4-methoxyphenyl)-(oxan-4-yl)methyl]-3-(3,5-dimethylimidazol-4-yl)pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 122675775
2-[8-[(4,4-Difluorocyclohexyl)-phenylmethyl]-5-(3,5-dimethylimidazol-4-yl)-13-methoxy-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol
CID 122694947

Frequently Asked Questions

What is the IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol?
The IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol (CID 158278018) is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol.
What is the SMILES notation for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol?
The canonical SMILES for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol is O[C@@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol?
The InChIKey is GJVWUDJDOZSGMM-KDUFEQIUSA-N. The full InChI is InChI=1S/2C24H25F3N2O2/c2*25-24(26,27)31-19-9-7-16(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-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol?
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol has a molecular weight of 860.94 g/mol, XLogP of 12.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methanol is sourced from PubChem (CID 158278018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).