(5R)-4-[4-[4-propan-2-yl-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 67968757

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

(5R)-4-[4-[4-propan-2-yl-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 67968757) has the molecular formula C25H34F3N7O and a molecular weight of 505.59 g/mol. Its IUPAC name is (5R)-4-[4-[4-propan-2-yl-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: (5R)-4-[4-[4-propan-2-yl-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: 67968757
• Molecular Formula: C25H34F3N7O
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.28
• IUPAC Name: (5R)-4-[4-[4-propan-2-yl-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: CC(C)c1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)(F)F)CC(=O)N4)CC2)n1
• InChI: InChI=1S/C25H34F3N7O/c1-16(2)19-14-35(12-11-33-7-3-4-8-33)23(31-19)17-5-9-34(10-6-17)24-21-18(25(26,27)28)13-20(36)32-22(21)29-15-30-24/h14-18H,3-13H2,1-2H3,(H,29,30,32,36)/t18-/m1/s1
• InChIKey: RVUGPCLYWAJABZ-GOSISDBHSA-N
• XLogP: 4.26
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[4-propan-2-yl-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 (5R)-4-[4-[4-propan-2-yl-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 67968757) is (5R)-4-[4-[4-propan-2-yl-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 (5R)-4-[4-[4-propan-2-yl-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 (5R)-4-[4-[4-propan-2-yl-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 CC(C)c1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)(F)F)CC(=O)N4)CC2)n1.

What is the InChIKey of (5R)-4-[4-[4-propan-2-yl-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 RVUGPCLYWAJABZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H34F3N7O/c1-16(2)19-14-35(12-11-33-7-3-4-8-33)23(31-19)17-5-9-34(10-6-17)24-21-18(25(26,27)28)13-20(36)32-22(21)29-15-30-24/h14-18H,3-13H2,1-2H3,(H,29,30,32,36)/t18-/m1/s1.

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

(5R)-4-[4-[4-propan-2-yl-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 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-[4-[4-propan-2-yl-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 67968757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).