6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H18ClN5O — CID 135862064

About 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862064) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862064
• Molecular Formula: C15H18ClN5O
• Molecular Weight: 319.80 g/mol
• Exact Mass: 319.12
• IUPAC Name: 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1cc(Cl)c(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)n1
• InChI: InChI=1S/C15H18ClN5O/c1-20-7-11(16)13(19-20)8-21-5-4-12-10(6-21)15(22)18-14(17-12)9-2-3-9/h7,9H,2-6,8H2,1H3,(H,17,18,22)
• InChIKey: DFYZBGJGSRDAAS-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.80
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862064) is 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cn1cc(Cl)c(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)n1.

What is the InChIKey of 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is DFYZBGJGSRDAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-20-7-11(16)13(19-20)8-21-5-4-12-10(6-21)15(22)18-14(17-12)9-2-3-9/h7,9H,2-6,8H2,1H3,(H,17,18,22).

What are the key properties of 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 319.80 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).