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

C19H23N7O — CID 135944351

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

6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944351) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135944351
• Molecular Formula: C19H23N7O
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.20
• IUPAC Name: 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCCn1ncc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)c1C
• InChI: InChI=1S/C19H23N7O/c1-3-5-26-13(2)15(9-22-26)10-25-6-4-17-16(11-25)19(27)24-18(23-17)14-7-20-12-21-8-14/h7-9,12H,3-6,10-11H2,1-2H3,(H,23,24,27)
• InChIKey: DDRNBOFMMXDGFC-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944351) is 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCn1ncc(CN2CCc3nc(-c4cncnc4)[nH]c(=O)c3C2)c1C.

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

The InChIKey is DDRNBOFMMXDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-3-5-26-13(2)15(9-22-26)10-25-6-4-17-16(11-25)19(27)24-18(23-17)14-7-20-12-21-8-14/h7-9,12H,3-6,10-11H2,1-2H3,(H,23,24,27).

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

6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 365.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).