6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H25F3N4O — CID 24917574

About 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917574) has the molecular formula C25H25F3N4O and a molecular weight of 454.50 g/mol. Its IUPAC name is 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24917574
• Molecular Formula: C25H25F3N4O
• Molecular Weight: 454.50 g/mol
• Exact Mass: 454.20
• IUPAC Name: 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: FC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2ccc(OC4CCCC4)nc2)C3)cc1
• InChI: InChI=1S/C25H25F3N4O/c26-25(27,28)20-8-6-18(7-9-20)24-30-14-19-16-32(12-11-22(19)31-24)15-17-5-10-23(29-13-17)33-21-3-1-2-4-21/h5-10,13-14,21H,1-4,11-12,15-16H2
• InChIKey: HLLYGCNXEOZNBZ-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.50
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917574) is 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2ccc(OC4CCCC4)nc2)C3)cc1.

What is the InChIKey of 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is HLLYGCNXEOZNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O/c26-25(27,28)20-8-6-18(7-9-20)24-30-14-19-16-32(12-11-22(19)31-24)15-17-5-10-23(29-13-17)33-21-3-1-2-4-21/h5-10,13-14,21H,1-4,11-12,15-16H2.

What are the key properties of 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 454.50 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).