N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C86H96F5N27O12S4Si — CID 160935776

About N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 160935776) has the molecular formula C86H96F5N27O12S4Si and a molecular weight of 1951.23 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 160935776
• Molecular Formula: C86H96F5N27O12S4Si
• Molecular Weight: 1951.23 g/mol
• Exact Mass: 1949.63
• IUPAC Name: N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(C(N)=O)n2)C1.CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4F)n3)c(-c3ccccn3)n2)C1.CCOC1CC(n2cc(NC(=O)c3csc(-c4cnn(COCC[Si](C)(C)C)c4F)n3)c(-c3ccccn3)n2)C1.CCOC1CC(n2ncc3c2CCCN3C(=O)c2csc(-c3cn[nH]c3)n2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H34FN7O3SSi.C21H20FN7O2S.C19H22N6O2S.C17H19N7O3S.C2HF3O2/c1-5-38-19-12-18(13-19)34-15-22(24(33-34)21-8-6-7-9-29-21)31-26(36)23-16-39-27(32-23)20-14-30-35(25(20)28)17-37-10-11-40(2,3)4;1-2-31-13-7-12(8-13)29-10-16(18(28-29)15-5-3-4-6-23-15)25-20(30)17-11-32-21(26-17)14-9-24-27-19(14)22;1-2-27-14-6-13(7-14)25-16-4-3-5-24(17(16)10-22-25)19(26)15-11-28-18(23-15)12-8-20-21-9-12;1-2-27-11-3-10(4-11)24-7-12(14(23-24)15(18)25)21-16(26)13-8-28-17(22-13)9-5-19-20-6-9;3-2(4,5)1(6)7/h6-9,14-16,18-19H,5,10-13,17H2,1-4H3,(H,31,36);3-6,9-13H,2,7-8H2,1H3,(H,24,27)(H,25,30);8-11,13-14H,2-7H2,1H3,(H,20,21);5-8,10-11H,2-4H2,1H3,(H2,18,25)(H,19,20)(H,21,26);(H,6,7)
• InChIKey: PCQJABYTUGWLIY-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 486.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.23
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 160935776) is N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(C(N)=O)n2)C1.CCOC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4F)n3)c(-c3ccccn3)n2)C1.CCOC1CC(n2cc(NC(=O)c3csc(-c4cnn(COCC[Si](C)(C)C)c4F)n3)c(-c3ccccn3)n2)C1.CCOC1CC(n2ncc3c2CCCN3C(=O)c2csc(-c3cn[nH]c3)n2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is PCQJABYTUGWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O3SSi.C21H20FN7O2S.C19H22N6O2S.C17H19N7O3S.C2HF3O2/c1-5-38-19-12-18(13-19)34-15-22(24(33-34)21-8-6-7-9-29-21)31-26(36)23-16-39-27(32-23)20-14-30-35(25(20)28)17-37-10-11-40(2,3)4;1-2-31-13-7-12(8-13)29-10-16(18(28-29)15-5-3-4-6-23-15)25-20(30)17-11-32-21(26-17)14-9-24-27-19(14)22;1-2-27-14-6-13(7-14)25-16-4-3-5-24(17(16)10-22-25)19(26)15-11-28-18(23-15)12-8-20-21-9-12;1-2-27-11-3-10(4-11)24-7-12(14(23-24)15(18)25)21-16(26)13-8-28-17(22-13)9-5-19-20-6-9;3-2(4,5)1(6)7/h6-9,14-16,18-19H,5,10-13,17H2,1-4H3,(H,31,36);3-6,9-13H,2,7-8H2,1H3,(H,24,27)(H,25,30);8-11,13-14H,2-7H2,1H3,(H,20,21);5-8,10-11H,2-4H2,1H3,(H2,18,25)(H,19,20)(H,21,26);(H,6,7).

What are the key properties of N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1951.23 g/mol, XLogP of 15.15, 31 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbamoyl-1-(3-ethoxycyclobutyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;[1-(3-ethoxycyclobutyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]methanone;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160935776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).