2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

C30H31FN6O4 — CID 167232799

About 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 167232799) has the molecular formula C30H31FN6O4 and a molecular weight of 558.61 g/mol. Its IUPAC name is 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
• PubChem CID: 167232799
• Molecular Formula: C30H31FN6O4
• Molecular Weight: 558.61 g/mol
• Exact Mass: 558.24
• IUPAC Name: 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
• SMILES: O=C(c1ccc(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)c1)N1CCCC(O)C1
• InChI: InChI=1S/C30H31FN6O4/c31-23-14-18(30(41)37-11-1-2-21(39)17-37)3-5-22(23)25-15-26(28-24(34-25)7-10-32-29(28)40)35-27-6-4-19(16-33-27)36-12-8-20(38)9-13-36/h3-7,10,14-16,20-21,38-39H,1-2,8-9,11-13,17H2,(H,32,40)(H,33,34,35)
• InChIKey: BCQYDGSTQFTRPJ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 134.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.61
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?

The IUPAC name of 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (CID 167232799) is 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

What is the SMILES notation for 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?

The canonical SMILES for 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is O=C(c1ccc(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)c1)N1CCCC(O)C1.

What is the InChIKey of 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?

The InChIKey is BCQYDGSTQFTRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O4/c31-23-14-18(30(41)37-11-1-2-21(39)17-37)3-5-22(23)25-15-26(28-24(34-25)7-10-32-29(28)40)35-27-6-4-19(16-33-27)36-12-8-20(38)9-13-36/h3-7,10,14-16,20-21,38-39H,1-2,8-9,11-13,17H2,(H,32,40)(H,33,34,35).

What are the key properties of 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?

2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 558.61 g/mol, XLogP of 3.43, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 167232799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).