bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride

C79H86Cl4F7N23O13 — CID 159899820

About bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride

bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride (PubChem CID 159899820) has the molecular formula C79H86Cl4F7N23O13 and a molecular weight of 1840.50 g/mol. Its IUPAC name is bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride.

Molecular Properties

• Compound Name: bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride
• PubChem CID: 159899820
• Molecular Formula: C79H86Cl4F7N23O13
• Molecular Weight: 1840.50 g/mol
• Exact Mass: 1837.54
• IUPAC Name: bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride
• 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)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.C[C@@H]1C[C@@H]1F.Cl.Fc1cccnc1F.Nc1ccc[nH]c1=O.Nc1cccn(-c2ncccc2F)c1=O.Nc1cccn(-c2ncccc2F)c1=O
• InChI: InChI=1S/2C16H19ClFN5O3.C13H15ClN4O4.2C10H8FN3O.C5H3F2N.C5H6N2O.C4H7F.ClH/c2*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;2*11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;6-4-2-1-3-8-5(4)7;6-4-2-1-3-7-5(4)8;1-3-2-4(3)5;/h2*6-7,9-10H,5H2,1-4H3,(H,20,24);5-6H,1-4H3,(H,19,20);2*1-6H,12H2;1-3H;1-3H,6H2,(H,7,8);3-4H,2H2,1H3;1H/t2*9-,10+;;;;;;3-,4+;/m00.....1./s1
• InChIKey: ITXMCGNJGAHRDZ-MABXFIOESA-N
• XLogP: 12.65
• TPSA: 468.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1840.50
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

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-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride?

The IUPAC name of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride (CID 159899820) is bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride.

What is the SMILES notation for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride?

The canonical SMILES for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride 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)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.C[C@@H]1C[C@@H]1F.Cl.Fc1cccnc1F.Nc1ccc[nH]c1=O.Nc1cccn(-c2ncccc2F)c1=O.Nc1cccn(-c2ncccc2F)c1=O.

What is the InChIKey of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride?

The InChIKey is ITXMCGNJGAHRDZ-MABXFIOESA-N. The full InChI is InChI=1S/2C16H19ClFN5O3.C13H15ClN4O4.2C10H8FN3O.C5H3F2N.C5H6N2O.C4H7F.ClH/c2*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;2*11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;6-4-2-1-3-8-5(4)7;6-4-2-1-3-7-5(4)8;1-3-2-4(3)5;/h2*6-7,9-10H,5H2,1-4H3,(H,20,24);5-6H,1-4H3,(H,19,20);2*1-6H,12H2;1-3H;1-3H,6H2,(H,7,8);3-4H,2H2,1H3;1H/t2*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-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride?

bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride has a molecular weight of 1840.50 g/mol, XLogP of 12.65, 10 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]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;hydrochloride is sourced from PubChem (CID 159899820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).