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

C88H96BrClN30O12S5 — CID 159612186

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

bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159612186) has the molecular formula C88H96BrClN30O12S5 and a molecular weight of 2041.63 g/mol. Its IUPAC name is bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159612186
• Molecular Formula: C88H96BrClN30O12S5
• Molecular Weight: 2041.63 g/mol
• Exact Mass: 2038.53
• IUPAC Name: bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccn(-c3ncc(C)s3)c2=O)nc2c(C(=O)NC3CC3)cnn12.Cc1cnc(-n2cccc(N)c2=O)s1.Cc1cnc(-n2cccc(N)c2=O)s1.Cc1cnc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(=O)NC5CC5)c4n3)c2=O)s1.Cc1cnc(Br)s1.Nc1ccc[nH]c1=O
• InChI: InChI=1S/C25H28N8O4S.C20H20N8O2S.C16H20ClN5O3.2C9H9N3OS.C5H6N2O.C4H4BrNS/c1-14-12-26-23(38-14)32-10-6-7-17(22(32)35)29-18-11-19(31(5)24(36)37-25(2,3)4)33-20(30-18)16(13-27-33)21(34)28-15-8-9-15;1-11-9-22-20(31-11)27-7-3-4-14(19(27)30)25-15-8-16(21-2)28-17(26-15)13(10-23-28)18(29)24-12-5-6-12;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*1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13;6-4-2-1-3-7-5(4)8;1-3-2-6-4(5)7-3/h6-7,10-13,15H,8-9H2,1-5H3,(H,28,34)(H,29,30);3-4,7-10,12,21H,5-6H2,1-2H3,(H,24,29)(H,25,26);7-9H,5-6H2,1-4H3,(H,19,23);2*2-5H,10H2,1H3;1-3H,6H2,(H,7,8);2H,1H3
• InChIKey: MMVKPDRDJRKOHA-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 536.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.63
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159612186) is bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccn(-c3ncc(C)s3)c2=O)nc2c(C(=O)NC3CC3)cnn12.Cc1cnc(-n2cccc(N)c2=O)s1.Cc1cnc(-n2cccc(N)c2=O)s1.Cc1cnc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(=O)NC5CC5)c4n3)c2=O)s1.Cc1cnc(Br)s1.Nc1ccc[nH]c1=O.

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

The InChIKey is MMVKPDRDJRKOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O4S.C20H20N8O2S.C16H20ClN5O3.2C9H9N3OS.C5H6N2O.C4H4BrNS/c1-14-12-26-23(38-14)32-10-6-7-17(22(32)35)29-18-11-19(31(5)24(36)37-25(2,3)4)33-20(30-18)16(13-27-33)21(34)28-15-8-9-15;1-11-9-22-20(31-11)27-7-3-4-14(19(27)30)25-15-8-16(21-2)28-17(26-15)13(10-23-28)18(29)24-12-5-6-12;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*1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13;6-4-2-1-3-7-5(4)8;1-3-2-6-4(5)7-3/h6-7,10-13,15H,8-9H2,1-5H3,(H,28,34)(H,29,30);3-4,7-10,12,21H,5-6H2,1-2H3,(H,24,29)(H,25,26);7-9H,5-6H2,1-4H3,(H,19,23);2*2-5H,10H2,1H3;1-3H,6H2,(H,7,8);2H,1H3.

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

bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2041.63 g/mol, XLogP of 13.16, 17 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one);3-amino-1H-pyridin-2-one;2-bromo-5-methyl-1,3-thiazole;tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-cyclopropyl-7-(methylamino)-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159612186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).