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

C27H41N7O2 — CID 67954598

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

(5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954598) has the molecular formula C27H41N7O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is (5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: (5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67954598
• Molecular Formula: C27H41N7O2
• Molecular Weight: 495.67 g/mol
• Exact Mass: 495.33
• IUPAC Name: (5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: COCC(C)(C)c1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)CC2)n1
• InChI: InChI=1S/C27H41N7O2/c1-19-15-22(35)31-24-23(19)26(29-18-28-24)33-11-7-20(8-12-33)25-30-21(27(2,3)17-36-4)16-34(25)14-13-32-9-5-6-10-32/h16,18-20H,5-15,17H2,1-4H3,(H,28,29,31,35)/t19-/m1/s1
• InChIKey: NMYLVJMNXBGNRO-LJQANCHMSA-N
• XLogP: 3.52
• TPSA: 88.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.67
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954598) is (5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

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

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

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

The InChIKey is NMYLVJMNXBGNRO-LJQANCHMSA-N. The full InChI is InChI=1S/C27H41N7O2/c1-19-15-22(35)31-24-23(19)26(29-18-28-24)33-11-7-20(8-12-33)25-30-21(27(2,3)17-36-4)16-34(25)14-13-32-9-5-6-10-32/h16,18-20H,5-15,17H2,1-4H3,(H,28,29,31,35)/t19-/m1/s1.

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

(5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 495.67 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-[4-[4-(1-methoxy-2-methylpropan-2-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).