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

C19H17F2N5O — CID 136763495

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

7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136763495) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136763495
• Molecular Formula: C19H17F2N5O
• Molecular Weight: 369.38 g/mol
• Exact Mass: 369.14
• IUPAC Name: 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(F)c2F)C3)cn1
• InChI: InChI=1S/C19H17F2N5O/c1-11-7-23-15(8-22-11)18-24-16-10-26(6-5-13(16)19(27)25-18)9-12-3-2-4-14(20)17(12)21/h2-4,7-8H,5-6,9-10H2,1H3,(H,24,25,27)
• InChIKey: VXUFKCGRQZLWSD-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.38
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136763495) is 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(F)c2F)C3)cn1.

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

The InChIKey is VXUFKCGRQZLWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-11-7-23-15(8-22-11)18-24-16-10-26(6-5-13(16)19(27)25-18)9-12-3-2-4-14(20)17(12)21/h2-4,7-8H,5-6,9-10H2,1H3,(H,24,25,27).

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

7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 369.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136763495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).