(1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol

C31H34F6N4O2 — CID 138612190

IUPAC(1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol
SMILESO[C@H](c1cc(C(F)(F)F)cc2cncn12)C1CCCC(c2ncn3c([C@@H](O)CC4CCCCC4)cc(C(F)(F)F)cc23)C1
InChIInChI=1S/C31H34F6N4O2/c32-30(33,34)21-11-23-15-38-16-40(23)26(14-21)29(43)20-8-4-7-19(10-20)28-25-13-22(31(35,36)37)12-24(41(25)17-39-28)27(42)9-18-5-2-1-3-6-18/h11-20,27,29,42-43H,1-10H2/t19?,20?,27-,29-/m0/s1
InChIKeyYUOUYYALOFYJTE-GGERJNAPSA-N
MW608.63 g/mol
LogP8.03
Rot. Bonds6

About (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol

(1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol (PubChem CID 138612190) has the molecular formula C31H34F6N4O2 and a molecular weight of 608.63 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol
PubChem CID138612190
Molecular FormulaC31H34F6N4O2
Molecular Weight608.63 g/mol
Exact Mass608.26
IUPAC Name(1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol
SMILESO[C@H](c1cc(C(F)(F)F)cc2cncn12)C1CCCC(c2ncn3c([C@@H](O)CC4CCCCC4)cc(C(F)(F)F)cc23)C1
InChIInChI=1S/C31H34F6N4O2/c32-30(33,34)21-11-23-15-38-16-40(23)26(14-21)29(43)20-8-4-7-19(10-20)28-25-13-22(31(35,36)37)12-24(41(25)17-39-28)27(42)9-18-5-2-1-3-6-18/h11-20,27,29,42-43H,1-10H2/t19?,20?,27-,29-/m0/s1
InChIKeyYUOUYYALOFYJTE-GGERJNAPSA-N
XLogP8.03
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.63
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
[3-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155538952
[3-(5-Methyl-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 42633904
{3-[5-methyl-4-morpholin-4-yl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl}methanol
CID 42633906
US10172859, Example 358
CID 118954760
US10172859, Example 356
CID 118954956
US10738057, Example 10
CID 138562068
US10738057, Example 136
CID 138562199
US10738057, Example 46
CID 138619377
US10738057, Example 11
CID 155884303
US10738057, Example 44
CID 155884307
US10738057, Example 267
CID 155884324

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol?
The IUPAC name of (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol (CID 138612190) is (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol.
What is the SMILES notation for (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol?
The canonical SMILES for (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol is O[C@H](c1cc(C(F)(F)F)cc2cncn12)C1CCCC(c2ncn3c([C@@H](O)CC4CCCCC4)cc(C(F)(F)F)cc23)C1.
What is the InChIKey of (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol?
The InChIKey is YUOUYYALOFYJTE-GGERJNAPSA-N. The full InChI is InChI=1S/C31H34F6N4O2/c32-30(33,34)21-11-23-15-38-16-40(23)26(14-21)29(43)20-8-4-7-19(10-20)28-25-13-22(31(35,36)37)12-24(41(25)17-39-28)27(42)9-18-5-2-1-3-6-18/h11-20,27,29,42-43H,1-10H2/t19?,20?,27-,29-/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol?
(1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol has a molecular weight of 608.63 g/mol, XLogP of 8.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-[1-[3-[(S)-hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cyclohexyl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]ethanol is sourced from PubChem (CID 138612190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).