6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H17FN4O3 — CID 135862218

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

6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862218) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135862218
• Molecular Formula: C22H17FN4O3
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.13
• IUPAC Name: 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1coc3ccc(F)cc3c1=O)CC2
• InChI: InChI=1S/C22H17FN4O3/c23-15-1-2-19-16(9-15)20(28)14(12-30-19)10-27-8-5-18-17(11-27)22(29)26-21(25-18)13-3-6-24-7-4-13/h1-4,6-7,9,12H,5,8,10-11H2,(H,25,26,29)
• InChIKey: ZVIPTEYKHBJJIU-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862218) is 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1coc3ccc(F)cc3c1=O)CC2.

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

The InChIKey is ZVIPTEYKHBJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-15-1-2-19-16(9-15)20(28)14(12-30-19)10-27-8-5-18-17(11-27)22(29)26-21(25-18)13-3-6-24-7-4-13/h1-4,6-7,9,12H,5,8,10-11H2,(H,25,26,29).

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

6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 404.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).