(5R)-4-[4-[4-(oxan-4-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

C27H36F3N7O2 — CID 67968751

About (5R)-4-[4-[4-(oxan-4-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-(oxan-4-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 67968751) has the molecular formula C27H36F3N7O2 and a molecular weight of 547.63 g/mol. Its IUPAC name is (5R)-4-[4-[4-(oxan-4-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-(oxan-4-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: 67968751
• Molecular Formula: C27H36F3N7O2
• Molecular Weight: 547.63 g/mol
• Exact Mass: 547.29
• IUPAC Name: (5R)-4-[4-[4-(oxan-4-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: O=C1C[C@@H](C(F)(F)F)c2c(ncnc2N2CCC(c3nc(C4CCOCC4)cn3CCN3CCCC3)CC2)N1
• InChI: InChI=1S/C27H36F3N7O2/c28-27(29,30)20-15-22(38)34-24-23(20)26(32-17-31-24)36-9-3-19(4-10-36)25-33-21(18-5-13-39-14-6-18)16-37(25)12-11-35-7-1-2-8-35/h16-20H,1-15H2,(H,31,32,34,38)/t20-/m1/s1
• InChIKey: DLFQAUZAKOVHCR-HXUWFJFHSA-N
• XLogP: 4.03
• TPSA: 88.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.63
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[4-(oxan-4-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-(oxan-4-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 67968751) is (5R)-4-[4-[4-(oxan-4-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-(oxan-4-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-(oxan-4-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 O=C1C[C@@H](C(F)(F)F)c2c(ncnc2N2CCC(c3nc(C4CCOCC4)cn3CCN3CCCC3)CC2)N1.

What is the InChIKey of (5R)-4-[4-[4-(oxan-4-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 DLFQAUZAKOVHCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H36F3N7O2/c28-27(29,30)20-15-22(38)34-24-23(20)26(32-17-31-24)36-9-3-19(4-10-36)25-33-21(18-5-13-39-14-6-18)16-37(25)12-11-35-7-1-2-8-35/h16-20H,1-15H2,(H,31,32,34,38)/t20-/m1/s1.

What are the key properties of (5R)-4-[4-[4-(oxan-4-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-(oxan-4-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 547.63 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-[4-[4-(oxan-4-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 67968751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).