2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C22H28N6O3 — CID 136796636

About 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796636) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136796636
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: CCC(=O)N1CCc2c(nc(C3CCCCN3C(=O)c3cc(C4CC4)[nH]n3)[nH]c2=O)C1
• InChI: InChI=1S/C22H28N6O3/c1-2-19(29)27-10-8-14-17(12-27)23-20(24-21(14)30)18-5-3-4-9-28(18)22(31)16-11-15(25-26-16)13-6-7-13/h11,13,18H,2-10,12H2,1H3,(H,25,26)(H,23,24,30)
• InChIKey: ZWMSWLILQVGHBV-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 115.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796636) is 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCC(=O)N1CCc2c(nc(C3CCCCN3C(=O)c3cc(C4CC4)[nH]n3)[nH]c2=O)C1.

What is the InChIKey of 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is ZWMSWLILQVGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-2-19(29)27-10-8-14-17(12-27)23-20(24-21(14)30)18-5-3-4-9-28(18)22(31)16-11-15(25-26-16)13-6-7-13/h11,13,18H,2-10,12H2,1H3,(H,25,26)(H,23,24,30).

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

2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 424.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).