8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine

C30H25Cl2F3N4O — CID 151571953

About 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine

8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine (PubChem CID 151571953) has the molecular formula C30H25Cl2F3N4O and a molecular weight of 585.46 g/mol. Its IUPAC name is 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine
• PubChem CID: 151571953
• Molecular Formula: C30H25Cl2F3N4O
• Molecular Weight: 585.46 g/mol
• Exact Mass: 584.14
• IUPAC Name: 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine
• SMILES: Cc1c(Cl)cc(C(C)c2cccnc2-c2ncc3c(Cl)cccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C30H25Cl2F3N4O/c1-16(2)40-28-21(13-23(32)18(4)26(28)19-9-10-25(37-14-19)30(33,34)35)17(3)20-7-5-11-36-27(20)29-38-15-24-22(31)8-6-12-39(24)29/h5-17H,1-4H3
• InChIKey: QEQDPJCOCHWUFE-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 52.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.46
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine?

The IUPAC name of 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine (CID 151571953) is 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine.

What is the SMILES notation for 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine?

The canonical SMILES for 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine is Cc1c(Cl)cc(C(C)c2cccnc2-c2ncc3c(Cl)cccn23)c(OC(C)C)c1-c1ccc(C(F)(F)F)nc1.

What is the InChIKey of 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine?

The InChIKey is QEQDPJCOCHWUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2F3N4O/c1-16(2)40-28-21(13-23(32)18(4)26(28)19-9-10-25(37-14-19)30(33,34)35)17(3)20-7-5-11-36-27(20)29-38-15-24-22(31)8-6-12-39(24)29/h5-17H,1-4H3.

What are the key properties of 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine?

8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine has a molecular weight of 585.46 g/mol, XLogP of 9.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-[3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-2-pyridinyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 151571953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).