1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C26H26FN7O3 — CID 134325519

About 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325519) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 134325519
• Molecular Formula: C26H26FN7O3
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.21
• IUPAC Name: 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC(C)C2CNC2)cc1F)c(=O)n3C
• InChI: InChI=1S/C26H26FN7O3/c1-14(15-8-28-9-15)37-17-5-20(27)25(30-11-17)34-24-19-6-18(16-10-31-32(2)13-16)23(36-4)7-21(19)29-12-22(24)33(3)26(34)35/h5-7,10-15,28H,8-9H2,1-4H3
• InChIKey: ZRLDVILREBTWOX-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 101.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325519) is 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC(C)C2CNC2)cc1F)c(=O)n3C.

What is the InChIKey of 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The InChIKey is ZRLDVILREBTWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-14(15-8-28-9-15)37-17-5-20(27)25(30-11-17)34-24-19-6-18(16-10-31-32(2)13-16)23(36-4)7-21(19)29-12-22(24)33(3)26(34)35/h5-7,10-15,28H,8-9H2,1-4H3.

What are the key properties of 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 503.54 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[1-(azetidin-3-yl)ethoxy]-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).