[7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol

C29H30Cl2F4N4O2 — CID 138612184

About [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol

[7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol (PubChem CID 138612184) has the molecular formula C29H30Cl2F4N4O2 and a molecular weight of 613.48 g/mol. Its IUPAC name is [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol.

Molecular Properties

• Compound Name: [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
• PubChem CID: 138612184
• Molecular Formula: C29H30Cl2F4N4O2
• Molecular Weight: 613.48 g/mol
• Exact Mass: 612.17
• IUPAC Name: [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
• SMILES: OC(c1c(Cl)c(C(F)(F)F)cc2cncn12)C1CCCC(c2ncn3c(C(O)C4CCCCC4)c(F)c(Cl)cc23)C1
• InChI: InChI=1S/C29H30Cl2F4N4O2/c30-20-11-21-24(37-14-39(21)26(23(20)32)27(40)15-5-2-1-3-6-15)16-7-4-8-17(9-16)28(41)25-22(31)19(29(33,34)35)10-18-12-36-13-38(18)25/h10-17,27-28,40-41H,1-9H2
• InChIKey: CHXAGMRTBKKDKP-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 75.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.48
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?

The IUPAC name of [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol (CID 138612184) is [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol.

What is the SMILES notation for [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?

The canonical SMILES for [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol is OC(c1c(Cl)c(C(F)(F)F)cc2cncn12)C1CCCC(c2ncn3c(C(O)C4CCCCC4)c(F)c(Cl)cc23)C1.

What is the InChIKey of [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?

The InChIKey is CHXAGMRTBKKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2F4N4O2/c30-20-11-21-24(37-14-39(21)26(23(20)32)27(40)15-5-2-1-3-6-15)16-7-4-8-17(9-16)28(41)25-22(31)19(29(33,34)35)10-18-12-36-13-38(18)25/h10-17,27-28,40-41H,1-9H2.

What are the key properties of [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol?

[7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol has a molecular weight of 613.48 g/mol, XLogP of 8.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol is sourced from PubChem (CID 138612184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).