2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H23N5O — CID 110132625

About 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132625) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 110132625
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1cccc(CN2CCC(c3cc(=O)n4[nH]c(C)cc4n3)CC2)n1
• InChI: InChI=1S/C19H23N5O/c1-13-4-3-5-16(20-13)12-23-8-6-15(7-9-23)17-11-19(25)24-18(21-17)10-14(2)22-24/h3-5,10-11,15,22H,6-9,12H2,1-2H3
• InChIKey: ROBACXZHWUOLBR-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132625) is 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(CN2CCC(c3cc(=O)n4[nH]c(C)cc4n3)CC2)n1.

What is the InChIKey of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is ROBACXZHWUOLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-4-3-5-16(20-13)12-23-8-6-15(7-9-23)17-11-19(25)24-18(21-17)10-14(2)22-24/h3-5,10-11,15,22H,6-9,12H2,1-2H3.

What are the key properties of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).