2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

C28H27FN6O3 — CID 164882741

About 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 164882741) has the molecular formula C28H27FN6O3 and a molecular weight of 514.56 g/mol. Its IUPAC name is 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
• PubChem CID: 164882741
• Molecular Formula: C28H27FN6O3
• Molecular Weight: 514.56 g/mol
• Exact Mass: 514.21
• IUPAC Name: 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-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)N1CCC1
• InChI: InChI=1S/C28H27FN6O3/c29-21-14-17(28(38)35-10-1-11-35)2-4-20(21)23-15-24(26-22(32-23)6-9-30-27(26)37)33-25-5-3-18(16-31-25)34-12-7-19(36)8-13-34/h2-6,9,14-16,19,36H,1,7-8,10-13H2,(H,30,37)(H,31,32,33)
• InChIKey: IQECWOFECZQOLN-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 114.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.56
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (CID 164882741) is 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

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

The canonical SMILES for 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-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)N1CCC1.

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

The InChIKey is IQECWOFECZQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O3/c29-21-14-17(28(38)35-10-1-11-35)2-4-20(21)23-15-24(26-22(32-23)6-9-30-27(26)37)33-25-5-3-18(16-31-25)34-12-7-19(36)8-13-34/h2-6,9,14-16,19,36H,1,7-8,10-13H2,(H,30,37)(H,31,32,33).

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

2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 514.56 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 164882741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).