7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H32N6O2 — CID 136763989

About 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136763989) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136763989
• Molecular Formula: C23H32N6O2
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.26
• IUPAC Name: 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2
• InChI: InChI=1S/C23H32N6O2/c1-27-20(10-12-24-27)23(31)29-13-6-5-9-19(29)21-25-18-15-28(16-7-3-2-4-8-16)14-11-17(18)22(30)26-21/h10,12,16,19H,2-9,11,13-15H2,1H3,(H,25,26,30)/t19-/m1/s1
• InChIKey: QVDCLRCVAMVUEC-LJQANCHMSA-N
• XLogP: 2.56
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136763989) is 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2.

What is the InChIKey of 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is QVDCLRCVAMVUEC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-27-20(10-12-24-27)23(31)29-13-6-5-9-19(29)21-25-18-15-28(16-7-3-2-4-8-16)14-11-17(18)22(30)26-21/h10,12,16,19H,2-9,11,13-15H2,1H3,(H,25,26,30)/t19-/m1/s1.

What are the key properties of 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 424.55 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136763989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).