3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine

C69H74Cl5F3N22O12 — CID 158276503

About 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine

3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine (PubChem CID 158276503) has the molecular formula C69H74Cl5F3N22O12 and a molecular weight of 1637.75 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine.

Molecular Properties

• Compound Name: 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine
• PubChem CID: 158276503
• Molecular Formula: C69H74Cl5F3N22O12
• Molecular Weight: 1637.75 g/mol
• Exact Mass: 1634.43
• IUPAC Name: 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine
• SMILES: CC(=O)c1cnc2c(Cl)cc(Cl)nn12.CC(=O)c1cnc2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.CNc1cc(Cl)nn2c(C(C)=O)cnc12.CO[C@@H]1CC[C@H]1N.Fc1cccnc1F.Nc1ccc[nH]c1=O.Nc1cccn(-c2ncccc2F)c1=O
• InChI: InChI=1S/C14H17ClN4O3.C13H15ClN4O4.C10H8FN3O.C9H9ClN4O.C8H5Cl2N3O.C5H3F2N.C5H6N2O.C5H11NO/c1-8(20)10-7-16-12-9(6-11(15)17-19(10)12)18(5)13(21)22-14(2,3)4;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;1-5(15)7-4-12-9-6(11-2)3-8(10)13-14(7)9;1-4(14)6-3-11-8-5(9)2-7(10)12-13(6)8;6-4-2-1-3-8-5(4)7;6-4-2-1-3-7-5(4)8;1-7-5-3-2-4(5)6/h6-7H,1-5H3;5-6H,1-4H3,(H,19,20);1-6H,12H2;3-4,11H,1-2H3;2-3H,1H3;1-3H;1-3H,6H2,(H,7,8);4-5H,2-3,6H2,1H3/t;;;;;;;4-,5-/m.......1/s1
• InChIKey: GJRCFBFZYFSBNP-JHLXKLFXSA-N
• XLogP: 11.67
• TPSA: 448.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1637.75
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine?

The IUPAC name of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine (CID 158276503) is 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine.

What is the SMILES notation for 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine?

The canonical SMILES for 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine is CC(=O)c1cnc2c(Cl)cc(Cl)nn12.CC(=O)c1cnc2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.CNc1cc(Cl)nn2c(C(C)=O)cnc12.CO[C@@H]1CC[C@H]1N.Fc1cccnc1F.Nc1ccc[nH]c1=O.Nc1cccn(-c2ncccc2F)c1=O.

What is the InChIKey of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine?

The InChIKey is GJRCFBFZYFSBNP-JHLXKLFXSA-N. The full InChI is InChI=1S/C14H17ClN4O3.C13H15ClN4O4.C10H8FN3O.C9H9ClN4O.C8H5Cl2N3O.C5H3F2N.C5H6N2O.C5H11NO/c1-8(20)10-7-16-12-9(6-11(15)17-19(10)12)18(5)13(21)22-14(2,3)4;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;1-5(15)7-4-12-9-6(11-2)3-8(10)13-14(7)9;1-4(14)6-3-11-8-5(9)2-7(10)12-13(6)8;6-4-2-1-3-8-5(4)7;6-4-2-1-3-7-5(4)8;1-7-5-3-2-4(5)6/h6-7H,1-5H3;5-6H,1-4H3,(H,19,20);1-6H,12H2;3-4,11H,1-2H3;2-3H,1H3;1-3H;1-3H,6H2,(H,7,8);4-5H,2-3,6H2,1H3/t;;;;;;;4-,5-/m.......1/s1.

What are the key properties of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine?

3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine has a molecular weight of 1637.75 g/mol, XLogP of 11.67, 9 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-amino-1H-pyridin-2-one;tert-butyl N-(3-acetyl-6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-methylcarbamate;1-[6-chloro-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]ethanone;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;1-(6,8-dichloroimidazo[1,2-b]pyridazin-3-yl)ethanone;2,3-difluoropyridine;trans-(1R,2R)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 158276503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).