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

C20H17FN6O — CID 135861486

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

6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861486) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135861486
• Molecular Formula: C20H17FN6O
• Molecular Weight: 376.40 g/mol
• Exact Mass: 376.14
• IUPAC Name: 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1c[nH]c3ccc(F)cc13)CC2
• InChI: InChI=1S/C20H17FN6O/c21-14-1-2-17-15(5-14)13(8-24-17)9-27-4-3-18-16(10-27)20(28)26-19(25-18)12-6-22-11-23-7-12/h1-2,5-8,11,24H,3-4,9-10H2,(H,25,26,28)
• InChIKey: FYTMXLPCMAYNRL-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.40
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861486) is 6-[(5-fluoro-1H-indol-3-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-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1c[nH]c3ccc(F)cc13)CC2.

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

The InChIKey is FYTMXLPCMAYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-14-1-2-17-15(5-14)13(8-24-17)9-27-4-3-18-16(10-27)20(28)26-19(25-18)12-6-22-11-23-7-12/h1-2,5-8,11,24H,3-4,9-10H2,(H,25,26,28).

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

6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 376.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).