6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H24F3N5 — CID 24915307

About 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915307) has the molecular formula C24H24F3N5 and a molecular weight of 439.49 g/mol. Its IUPAC name is 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915307
• Molecular Formula: C24H24F3N5
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.20
• IUPAC Name: 6-[(6-pyrrolidin-1-yl-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(N4CCCC4)nc2)C3)cc1
• InChI: InChI=1S/C24H24F3N5/c25-24(26,27)20-6-4-18(5-7-20)23-29-14-19-16-31(12-9-21(19)30-23)15-17-3-8-22(28-13-17)32-10-1-2-11-32/h3-8,13-14H,1-2,9-12,15-16H2
• InChIKey: GGSBNAZWWXSISO-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915307) is 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(6-pyrrolidin-1-yl-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(N4CCCC4)nc2)C3)cc1.

What is the InChIKey of 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is GGSBNAZWWXSISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5/c25-24(26,27)20-6-4-18(5-7-20)23-29-14-19-16-31(12-9-21(19)30-23)15-17-3-8-22(28-13-17)32-10-1-2-11-32/h3-8,13-14H,1-2,9-12,15-16H2.

What are the key properties of 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 439.49 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).