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

C28H41N7O — CID 67954602

About (5R)-4-[4-[4-cyclohexyl-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-cyclohexyl-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 67954602) has the molecular formula C28H41N7O and a molecular weight of 491.68 g/mol. Its IUPAC name is (5R)-4-[4-[4-cyclohexyl-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-cyclohexyl-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: 67954602
• Molecular Formula: C28H41N7O
• Molecular Weight: 491.68 g/mol
• Exact Mass: 491.34
• IUPAC Name: (5R)-4-[4-[4-cyclohexyl-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: C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCCCC5)cn4CCN4CCCC4)CC3)c21
• InChI: InChI=1S/C28H41N7O/c1-20-17-24(36)32-26-25(20)28(30-19-29-26)34-13-9-22(10-14-34)27-31-23(21-7-3-2-4-8-21)18-35(27)16-15-33-11-5-6-12-33/h18-22H,2-17H2,1H3,(H,29,30,32,36)/t20-/m1/s1
• InChIKey: XYAIIVMNFZGPHY-HXUWFJFHSA-N
• XLogP: 4.65
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.68
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[4-cyclohexyl-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-cyclohexyl-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 67954602) is (5R)-4-[4-[4-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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 C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCCCC5)cn4CCN4CCCC4)CC3)c21.

What is the InChIKey of (5R)-4-[4-[4-cyclohexyl-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 XYAIIVMNFZGPHY-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H41N7O/c1-20-17-24(36)32-26-25(20)28(30-19-29-26)34-13-9-22(10-14-34)27-31-23(21-7-3-2-4-8-21)18-35(27)16-15-33-11-5-6-12-33/h18-22H,2-17H2,1H3,(H,29,30,32,36)/t20-/m1/s1.

What are the key properties of (5R)-4-[4-[4-cyclohexyl-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-cyclohexyl-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 491.68 g/mol, XLogP of 4.65, 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-cyclohexyl-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 67954602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).