bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine

C99H96Br2Cl2F9N27O15 — CID 158350832

About bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine

bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine (PubChem CID 158350832) has the molecular formula C99H96Br2Cl2F9N27O15 and a molecular weight of 2305.73 g/mol. Its IUPAC name is bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine.

Molecular Properties

• Compound Name: bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine
• PubChem CID: 158350832
• Molecular Formula: C99H96Br2Cl2F9N27O15
• Molecular Weight: 2305.73 g/mol
• Exact Mass: 2301.52
• IUPAC Name: bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.C[C@@H]1C[C@@H]1F.Fc1cccnc1F.Nc1cccn(-c2ncccc2F)c1=O.Nc1cccn(-c2ncccc2F)c1=O.O=c1[nH]cccc1Br.O=c1c(Br)cccn1-c1ncccc1F
• InChI: InChI=1S/C26H26F2N8O4.C16H19ClFN5O3.C13H15ClN4O4.C10H6BrFN2O.2C10H8FN3O.C5H4BrNO.C5H3F2N.C4H7F/c1-26(2,3)40-25(39)34(4)20-12-19(33-21-14(13-30-36(20)21)23(37)32-18-11-16(18)28)31-17-8-6-10-35(24(17)38)22-15(27)7-5-9-29-22;1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-3-2-6-14(10(7)15)9-8(12)4-1-5-13-9;2*11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;6-4-2-1-3-7-5(4)8;6-4-2-1-3-8-5(4)7;1-3-2-4(3)5/h5-10,12-13,16,18H,11H2,1-4H3,(H,31,33)(H,32,37);6-7,9-10H,5H2,1-4H3,(H,20,24);5-6H,1-4H3,(H,19,20);1-6H;2*1-6H,12H2;1-3H,(H,7,8);1-3H;3-4H,2H2,1H3/t16-,18+;9-,10+;;;;;;;3-,4+/m00......1/s1
• InChIKey: GSHJMXPQKKSECW-RNVXILBWSA-N
• XLogP: 16.32
• TPSA: 524.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2305.73
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine?

The IUPAC name of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine (CID 158350832) is bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine.

What is the SMILES notation for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine?

The canonical SMILES for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.C[C@@H]1C[C@@H]1F.Fc1cccnc1F.Nc1cccn(-c2ncccc2F)c1=O.Nc1cccn(-c2ncccc2F)c1=O.O=c1[nH]cccc1Br.O=c1c(Br)cccn1-c1ncccc1F.

What is the InChIKey of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine?

The InChIKey is GSHJMXPQKKSECW-RNVXILBWSA-N. The full InChI is InChI=1S/C26H26F2N8O4.C16H19ClFN5O3.C13H15ClN4O4.C10H6BrFN2O.2C10H8FN3O.C5H4BrNO.C5H3F2N.C4H7F/c1-26(2,3)40-25(39)34(4)20-12-19(33-21-14(13-30-36(20)21)23(37)32-18-11-16(18)28)31-17-8-6-10-35(24(17)38)22-15(27)7-5-9-29-22;1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-3-2-6-14(10(7)15)9-8(12)4-1-5-13-9;2*11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;6-4-2-1-3-7-5(4)8;6-4-2-1-3-8-5(4)7;1-3-2-4(3)5/h5-10,12-13,16,18H,11H2,1-4H3,(H,31,33)(H,32,37);6-7,9-10H,5H2,1-4H3,(H,20,24);5-6H,1-4H3,(H,19,20);1-6H;2*1-6H,12H2;1-3H,(H,7,8);1-3H;3-4H,2H2,1H3/t16-,18+;9-,10+;;;;;;;3-,4+/m00......1/s1.

What are the key properties of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine?

bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine has a molecular weight of 2305.73 g/mol, XLogP of 16.32, 14 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,3-difluoropyridine is sourced from PubChem (CID 158350832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).