bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

C105H131BrClN29O12 — CID 159564468

About bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (PubChem CID 159564468) has the molecular formula C105H131BrClN29O12 and a molecular weight of 2106.75 g/mol. Its IUPAC name is bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.

Molecular Properties

• Compound Name: bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
• PubChem CID: 159564468
• Molecular Formula: C105H131BrClN29O12
• Molecular Weight: 2106.75 g/mol
• Exact Mass: 2103.94
• IUPAC Name: bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
• SMILES: C.C.C.C.C.C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(C(=O)NC3CC3)cnn12.Cc1ccc(-n2cccc(N)c2=O)cn1.Cc1ccc(-n2cccc(N)c2=O)cn1.Cc1ccc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(=O)CC5CC5)c4n3)c2=O)cn1.Cc1ccc(Br)cn1.Nc1ccc[nH]c1=O
• InChI: InChI=1S/C28H31N7O4.C22H22N8O2.C16H20ClN5O3.2C11H11N3O.C6H6BrN.C5H6N2O.6CH4/c1-17-8-11-19(15-29-17)34-12-6-7-21(26(34)37)31-23-14-24(33(5)27(38)39-28(2,3)4)35-25(32-23)20(16-30-35)22(36)13-18-9-10-18;1-13-5-8-15(11-24-13)29-9-3-4-17(22(29)32)27-18-10-19(23-2)30-20(28-18)16(12-25-30)21(31)26-14-6-7-14;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*1-8-4-5-9(7-13-8)14-6-2-3-10(12)11(14)15;1-5-2-3-6(7)4-8-5;6-4-2-1-3-7-5(4)8;;;;;;/h6-8,11-12,14-16,18H,9-10,13H2,1-5H3,(H,31,32);3-5,8-12,14,23H,6-7H2,1-2H3,(H,26,31)(H,27,28);7-9H,5-6H2,1-4H3,(H,19,23);2*2-7H,12H2,1H3;2-4H,1H3;1-3H,6H2,(H,7,8);6*1H4
• InChIKey: MHAINERWRBPGLI-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 524.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.75
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

The IUPAC name of bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (CID 159564468) is bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.

What is the SMILES notation for bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

The canonical SMILES for bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is C.C.C.C.C.C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(C(=O)NC3CC3)cnn12.Cc1ccc(-n2cccc(N)c2=O)cn1.Cc1ccc(-n2cccc(N)c2=O)cn1.Cc1ccc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(=O)CC5CC5)c4n3)c2=O)cn1.Cc1ccc(Br)cn1.Nc1ccc[nH]c1=O.

What is the InChIKey of bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

The InChIKey is MHAINERWRBPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O4.C22H22N8O2.C16H20ClN5O3.2C11H11N3O.C6H6BrN.C5H6N2O.6CH4/c1-17-8-11-19(15-29-17)34-12-6-7-21(26(34)37)31-23-14-24(33(5)27(38)39-28(2,3)4)35-25(32-23)20(16-30-35)22(36)13-18-9-10-18;1-13-5-8-15(11-24-13)29-9-3-4-17(22(29)32)27-18-10-19(23-2)30-20(28-18)16(12-25-30)21(31)26-14-6-7-14;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*1-8-4-5-9(7-13-8)14-6-2-3-10(12)11(14)15;1-5-2-3-6(7)4-8-5;6-4-2-1-3-7-5(4)8;;;;;;/h6-8,11-12,14-16,18H,9-10,13H2,1-5H3,(H,31,32);3-5,8-12,14,23H,6-7H2,1-2H3,(H,26,31)(H,27,28);7-9H,5-6H2,1-4H3,(H,19,23);2*2-7H,12H2,1H3;2-4H,1H3;1-3H,6H2,(H,7,8);6*1H4.

What are the key properties of bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane has a molecular weight of 2106.75 g/mol, XLogP of 17.76, 18 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-1-(6-methyl-3-pyridinyl)pyridin-2-one);3-amino-1H-pyridin-2-one;5-bromo-2-methylpyridine;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is sourced from PubChem (CID 159564468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).