4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C24H30F3N7O — CID 67954905

About 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954905) has the molecular formula C24H30F3N7O and a molecular weight of 489.55 g/mol. Its IUPAC name is 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67954905
• Molecular Formula: C24H30F3N7O
• Molecular Weight: 489.55 g/mol
• Exact Mass: 489.25
• IUPAC Name: 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: O=C1CC(C(F)(F)F)c2c(ncnc2N2CCC(c3nc(C4CC4)cn3CCN3CCC3)CC2)N1
• InChI: InChI=1S/C24H30F3N7O/c25-24(26,27)17-12-19(35)31-21-20(17)23(29-14-28-21)33-8-4-16(5-9-33)22-30-18(15-2-3-15)13-34(22)11-10-32-6-1-7-32/h13-17H,1-12H2,(H,28,29,31,35)
• InChIKey: CTAUOUKDZOVABV-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.55
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954905) is 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-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-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CC(C(F)(F)F)c2c(ncnc2N2CCC(c3nc(C4CC4)cn3CCN3CCC3)CC2)N1.

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

The InChIKey is CTAUOUKDZOVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7O/c25-24(26,27)17-12-19(35)31-21-20(17)23(29-14-28-21)33-8-4-16(5-9-33)22-30-18(15-2-3-15)13-34(22)11-10-32-6-1-7-32/h13-17H,1-12H2,(H,28,29,31,35).

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

4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 489.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).