1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C96H90F4N26O14S — CID 157282174

About 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 157282174) has the molecular formula C96H90F4N26O14S and a molecular weight of 1940.00 g/mol. Its IUPAC name is 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 157282174
• Molecular Formula: C96H90F4N26O14S
• Molecular Weight: 1940.00 g/mol
• Exact Mass: 1938.68
• IUPAC Name: 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
• SMILES: C=CCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.CNCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(OCS(C)(=O)=O)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC2CNC2)cc1F)c(=O)n3C
• InChI: InChI=1S/C24H22FN7O3.C24H24FN7O3.C24H23FN6O5S.C24H21FN6O3/c1-30-12-13(7-29-30)16-5-17-19(6-21(16)34-3)27-11-20-22(17)32(24(33)31(20)2)23-18(25)4-14(10-28-23)35-15-8-26-9-15;1-26-5-6-35-15-7-18(25)23(28-11-15)32-22-17-8-16(14-10-29-30(2)13-14)21(34-4)9-19(17)27-12-20(22)31(3)24(32)33;1-13-17(11-29(2)28-13)15-7-16-19(8-21(15)35-4)26-10-20-22(16)31(24(32)30(20)3)23-18(25)6-14(9-27-23)36-12-37(5,33)34;1-5-6-34-15-7-18(25)23(27-11-15)31-22-17-8-16(14-10-28-29(2)13-14)21(33-4)9-19(17)26-12-20(22)30(3)24(31)32/h4-7,10-12,15,26H,8-9H2,1-3H3;7-13,26H,5-6H2,1-4H3;6-11H,12H2,1-5H3;5,7-13H,1,6H2,2-4H3
• InChIKey: AZUGSECOKBKYNK-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 414.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.00
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 157282174) is 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-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-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is C=CCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.CNCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1ncc(OCS(C)(=O)=O)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC2CNC2)cc1F)c(=O)n3C.

What is the InChIKey of 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The InChIKey is AZUGSECOKBKYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O3.C24H24FN7O3.C24H23FN6O5S.C24H21FN6O3/c1-30-12-13(7-29-30)16-5-17-19(6-21(16)34-3)27-11-20-22(17)32(24(33)31(20)2)23-18(25)4-14(10-28-23)35-15-8-26-9-15;1-26-5-6-35-15-7-18(25)23(28-11-15)32-22-17-8-16(14-10-29-30(2)13-14)21(34-4)9-19(17)27-12-20(22)31(3)24(32)33;1-13-17(11-29(2)28-13)15-7-16-19(8-21(15)35-4)26-10-20-22(16)31(24(32)30(20)3)23-18(25)6-14(9-27-23)36-12-37(5,33)34;1-5-6-34-15-7-18(25)23(27-11-15)31-22-17-8-16(14-10-28-29(2)13-14)21(33-4)9-19(17)26-12-20(22)30(3)24(31)32/h4-7,10-12,15,26H,8-9H2,1-3H3;7-13,26H,5-6H2,1-4H3;6-11H,12H2,1-5H3;5,7-13H,1,6H2,2-4H3.

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

1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 1940.00 g/mol, XLogP of 10.49, 24 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(azetidin-3-yloxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;8-(1,3-dimethylpyrazol-4-yl)-1-[3-fluoro-5-(methylsulfonylmethoxy)-2-pyridinyl]-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-prop-2-enoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 157282174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).