3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol

C89H110Cl3N23O19S2 — CID 159859859

About 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol

3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol (PubChem CID 159859859) has the molecular formula C89H110Cl3N23O19S2 and a molecular weight of 1976.49 g/mol. Its IUPAC name is 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol
• PubChem CID: 159859859
• Molecular Formula: C89H110Cl3N23O19S2
• Molecular Weight: 1976.49 g/mol
• Exact Mass: 1973.69
• IUPAC Name: 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.Cc1cnc(-n2cccc(N)c2=O)s1.Cc1cnc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(=O)C[C@@H]5CC[C@H]5O)c4n3)c2=O)s1.N[C@@H]1CC[C@H]1O
• InChI: InChI=1S/C27H31N7O5S.2C18H23ClN4O4.C13H15ClN4O4.C9H9N3OS.C4H9NO/c1-15-13-28-25(40-15)33-10-6-7-18(24(33)37)30-21-12-22(32(5)26(38)39-27(2,3)4)34-23(31-21)17(14-29-34)20(36)11-16-8-9-19(16)35;2*1-18(2,3)27-17(26)22(4)15-8-14(19)21-16-11(9-20-23(15)16)13(25)7-10-5-6-12(10)24;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13;5-3-1-2-4(3)6/h6-7,10,12-14,16,19,35H,8-9,11H2,1-5H3,(H,30,31);2*8-10,12,24H,5-7H2,1-4H3;5-6H,1-4H3,(H,19,20);2-5H,10H2,1H3;3-4,6H,1-2,5H2/t16-,19+;2*10-,12+;;;3-,4-/m000..1/s1
• InChIKey: NQZVUBDOVPWJCF-GINPOEIXSA-N
• XLogP: 13.40
• TPSA: 542.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1976.49
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol?

The IUPAC name of 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol (CID 159859859) is 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol.

What is the SMILES notation for 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol?

The canonical SMILES for 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)C[C@@H]3CC[C@H]3O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.Cc1cnc(-n2cccc(N)c2=O)s1.Cc1cnc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(=O)C[C@@H]5CC[C@H]5O)c4n3)c2=O)s1.N[C@@H]1CC[C@H]1O.

What is the InChIKey of 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol?

The InChIKey is NQZVUBDOVPWJCF-GINPOEIXSA-N. The full InChI is InChI=1S/C27H31N7O5S.2C18H23ClN4O4.C13H15ClN4O4.C9H9N3OS.C4H9NO/c1-15-13-28-25(40-15)33-10-6-7-18(24(33)37)30-21-12-22(32(5)26(38)39-27(2,3)4)34-23(31-21)17(14-29-34)20(36)11-16-8-9-19(16)35;2*1-18(2,3)27-17(26)22(4)15-8-14(19)21-16-11(9-20-23(15)16)13(25)7-10-5-6-12(10)24;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-6-5-11-9(14-6)12-4-2-3-7(10)8(12)13;5-3-1-2-4(3)6/h6-7,10,12-14,16,19,35H,8-9,11H2,1-5H3,(H,30,31);2*8-10,12,24H,5-7H2,1-4H3;5-6H,1-4H3,(H,19,20);2-5H,10H2,1H3;3-4,6H,1-2,5H2/t16-,19+;2*10-,12+;;;3-,4-/m000..1/s1.

What are the key properties of 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol?

3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol has a molecular weight of 1976.49 g/mol, XLogP of 13.40, 18 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one;bis(tert-butyl N-[5-chloro-3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(1S,2R)-2-hydroxycyclobutyl]acetyl]-5-[[1-(5-methyl-1,3-thiazol-2-yl)-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;trans-(1R,2R)-2-aminocyclobutan-1-ol is sourced from PubChem (CID 159859859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).