3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one

C23H19FN4O2 — CID 60516238

About 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one

3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 60516238) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
• PubChem CID: 60516238
• Molecular Formula: C23H19FN4O2
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.15
• IUPAC Name: 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
• SMILES: Cc1ccc2c(=O)c(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c[nH]c2n1
• InChI: InChI=1S/C23H19FN4O2/c1-13-2-4-17-21(29)19(12-26-22(17)27-13)23(30)28-8-6-14(7-9-28)18-11-25-20-10-15(24)3-5-16(18)20/h2-6,10-12,25H,7-9H2,1H3,(H,26,27,29)
• InChIKey: VFHPDFHIRWLQGW-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 81.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one?

The IUPAC name of 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one (CID 60516238) is 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c[nH]c2n1.

What is the InChIKey of 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one?

The InChIKey is VFHPDFHIRWLQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-13-2-4-17-21(29)19(12-26-22(17)27-13)23(30)28-8-6-14(7-9-28)18-11-25-20-10-15(24)3-5-16(18)20/h2-6,10-12,25H,7-9H2,1H3,(H,26,27,29).

What are the key properties of 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one?

3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 402.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 60516238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).