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

C25H35F2N7O — CID 67976483

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

(5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67976483) has the molecular formula C25H35F2N7O and a molecular weight of 487.60 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67976483
• Molecular Formula: C25H35F2N7O
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.29
• IUPAC Name: (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)c1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)F)CC(=O)N4)CC2)n1
• InChI: InChI=1S/C25H35F2N7O/c1-16(2)19-14-34(12-11-32-7-3-4-8-32)24(30-19)17-5-9-33(10-6-17)25-21-18(22(26)27)13-20(35)31-23(21)28-15-29-25/h14-18,22H,3-13H2,1-2H3,(H,28,29,31,35)/t18-/m1/s1
• InChIKey: QNSDQEBSARAGPB-GOSISDBHSA-N
• XLogP: 3.97
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67976483) is (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)c1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)F)CC(=O)N4)CC2)n1.

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

The InChIKey is QNSDQEBSARAGPB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H35F2N7O/c1-16(2)19-14-34(12-11-32-7-3-4-8-32)24(30-19)17-5-9-33(10-6-17)25-21-18(22(26)27)13-20(35)31-23(21)28-15-29-25/h14-18,22H,3-13H2,1-2H3,(H,28,29,31,35)/t18-/m1/s1.

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

(5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 487.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(difluoromethyl)-4-[4-[4-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67976483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).