[6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol

C30H34ClF3N4O2 — CID 138612202

IUPAC[6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
SMILESOC(c1cc(C(F)(F)F)cc2cncn12)C1CCCCC(c2ncn3c(C(O)C4CCCCC4)c(Cl)ccc23)C1
InChIInChI=1S/C30H34ClF3N4O2/c31-23-10-11-24-26(36-17-38(24)27(23)29(40)18-6-2-1-3-7-18)19-8-4-5-9-20(12-19)28(39)25-14-21(30(32,33)34)13-22-15-35-16-37(22)25/h10-11,13-20,28-29,39-40H,1-9,12H2
InChIKeyCDIHHUZKJODEHL-UHFFFAOYSA-N
MW575.08 g/mol
LogP7.67
Rot. Bonds5

About [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol

[6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol (PubChem CID 138612202) has the molecular formula C30H34ClF3N4O2 and a molecular weight of 575.08 g/mol. Its IUPAC name is [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol.

Molecular Properties

Compound Name[6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
PubChem CID138612202
Molecular FormulaC30H34ClF3N4O2
Molecular Weight575.08 g/mol
Exact Mass574.23
IUPAC Name[6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
SMILESOC(c1cc(C(F)(F)F)cc2cncn12)C1CCCCC(c2ncn3c(C(O)C4CCCCC4)c(Cl)ccc23)C1
InChIInChI=1S/C30H34ClF3N4O2/c31-23-10-11-24-26(36-17-38(24)27(23)29(40)18-6-2-1-3-7-18)19-8-4-5-9-20(12-19)28(39)25-14-21(30(32,33)34)13-22-15-35-16-37(22)25/h10-11,13-20,28-29,39-40H,1-9,12H2
InChIKeyCDIHHUZKJODEHL-UHFFFAOYSA-N
XLogP7.67
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.08
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?
The IUPAC name of [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol (CID 138612202) is [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol.
What is the SMILES notation for [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?
The canonical SMILES for [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol is OC(c1cc(C(F)(F)F)cc2cncn12)C1CCCCC(c2ncn3c(C(O)C4CCCCC4)c(Cl)ccc23)C1.
What is the InChIKey of [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?
The InChIKey is CDIHHUZKJODEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClF3N4O2/c31-23-10-11-24-26(36-17-38(24)27(23)29(40)18-6-2-1-3-7-18)19-8-4-5-9-20(12-19)28(39)25-14-21(30(32,33)34)13-22-15-35-16-37(22)25/h10-11,13-20,28-29,39-40H,1-9,12H2.
What are the key properties of [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?
[6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol has a molecular weight of 575.08 g/mol, XLogP of 7.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol is sourced from PubChem (CID 138612202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).