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

C24H34N6O2 — CID 136796272

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

6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796272) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136796272
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C(CCn1cccn1)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2
• InChI: InChI=1S/C24H34N6O2/c31-22(11-16-29-13-6-12-25-29)30-14-5-4-9-21(30)23-26-20-10-15-28(17-19(20)24(32)27-23)18-7-2-1-3-8-18/h6,12-13,18,21H,1-5,7-11,14-17H2,(H,26,27,32)
• InChIKey: IAMIQPDDJDJCAE-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796272) is 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(CCn1cccn1)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2.

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

The InChIKey is IAMIQPDDJDJCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c31-22(11-16-29-13-6-12-25-29)30-14-5-4-9-21(30)23-26-20-10-15-28(17-19(20)24(32)27-23)18-7-2-1-3-8-18/h6,12-13,18,21H,1-5,7-11,14-17H2,(H,26,27,32).

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

6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 438.58 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).