3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate

C123H166BrClN30O24 — CID 157073921

About 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate

3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate (PubChem CID 157073921) has the molecular formula C123H166BrClN30O24 and a molecular weight of 2564.22 g/mol. Its IUPAC name is 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate
• PubChem CID: 157073921
• Molecular Formula: C123H166BrClN30O24
• Molecular Weight: 2564.22 g/mol
• Exact Mass: 2561.16
• IUPAC Name: 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC=C(Br)CC1.CC(C)(C)OC(=O)N1CC=C(n2cccc(N)c2=O)CC1.CC(C)(C)OC(=O)N1CC=C(n2cccc(N)c2=O)CC1.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3=CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.Nc1ccc[nH]c1=O
• InChI: InChI=1S/C31H42N8O6.C31H40N8O6.C16H20ClN5O3.2C15H21N3O3.C10H16BrNO2.C5H6N2O/c2*1-30(2,3)44-28(42)36(7)24-17-23(35-25-21(18-32-39(24)25)26(40)33-19-10-11-19)34-22-9-8-14-38(27(22)41)20-12-15-37(16-13-20)29(43)45-31(4,5)6;1-16(2,3)25-15(24)21(4)12-7-11(17)20-13-10(8-18-22(12)13)14(23)19-9-5-6-9;2*1-15(2,3)21-14(20)17-9-6-11(7-10-17)18-8-4-5-12(16)13(18)19;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;6-4-2-1-3-7-5(4)8/h8-9,14,17-20H,10-13,15-16H2,1-7H3,(H,33,40)(H,34,35);8-9,12,14,17-19H,10-11,13,15-16H2,1-7H3,(H,33,40)(H,34,35);7-9H,5-6H2,1-4H3,(H,19,23);2*4-6,8H,7,9-10,16H2,1-3H3;4H,5-7H2,1-3H3;1-3H,6H2,(H,7,8)
• InChIKey: ACTCCQANIDMCFH-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 637.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 17
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.22
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?

The IUPAC name of 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate (CID 157073921) is 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate.

What is the SMILES notation for 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?

The canonical SMILES for 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(Br)CC1.CC(C)(C)OC(=O)N1CC=C(n2cccc(N)c2=O)CC1.CC(C)(C)OC(=O)N1CC=C(n2cccc(N)c2=O)CC1.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3=CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.Nc1ccc[nH]c1=O.

What is the InChIKey of 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?

The InChIKey is ACTCCQANIDMCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8O6.C31H40N8O6.C16H20ClN5O3.2C15H21N3O3.C10H16BrNO2.C5H6N2O/c2*1-30(2,3)44-28(42)36(7)24-17-23(35-25-21(18-32-39(24)25)26(40)33-19-10-11-19)34-22-9-8-14-38(27(22)41)20-12-15-37(16-13-20)29(43)45-31(4,5)6;1-16(2,3)25-15(24)21(4)12-7-11(17)20-13-10(8-18-22(12)13)14(23)19-9-5-6-9;2*1-15(2,3)21-14(20)17-9-6-11(7-10-17)18-8-4-5-12(16)13(18)19;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;6-4-2-1-3-7-5(4)8/h8-9,14,17-20H,10-13,15-16H2,1-7H3,(H,33,40)(H,34,35);8-9,12,14,17-19H,10-11,13,15-16H2,1-7H3,(H,33,40)(H,34,35);7-9H,5-6H2,1-4H3,(H,19,23);2*4-6,8H,7,9-10,16H2,1-3H3;4H,5-7H2,1-3H3;1-3H,6H2,(H,7,8).

What are the key properties of 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?

3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate has a molecular weight of 2564.22 g/mol, XLogP of 18.18, 17 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1H-pyridin-2-one;bis(tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate);tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-(cyclopropylcarbamoyl)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 157073921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).