4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C25H34F3N7O — CID 77440681

About 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 77440681) has the molecular formula C25H34F3N7O and a molecular weight of 505.59 g/mol. Its IUPAC name is 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 77440681
• Molecular Formula: C25H34F3N7O
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.28
• IUPAC Name: 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3C(C(F)(F)F)CC(=O)N4)CC2)n1
• InChI: InChI=1S/C25H34F3N7O/c1-2-5-18-15-35(13-12-33-8-3-4-9-33)23(31-18)17-6-10-34(11-7-17)24-21-19(25(26,27)28)14-20(36)32-22(21)29-16-30-24/h15-17,19H,2-14H2,1H3,(H,29,30,32,36)
• InChIKey: XFSKUQNAXUEPRX-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 77440681) is 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3C(C(F)(F)F)CC(=O)N4)CC2)n1.

What is the InChIKey of 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is XFSKUQNAXUEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3N7O/c1-2-5-18-15-35(13-12-33-8-3-4-9-33)23(31-18)17-6-10-34(11-7-17)24-21-19(25(26,27)28)14-20(36)32-22(21)29-16-30-24/h15-17,19H,2-14H2,1H3,(H,29,30,32,36).

What are the key properties of 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 505.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 77440681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).