tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C121H111F4N35O13S5 — CID 160711832

About tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 160711832) has the molecular formula C121H111F4N35O13S5 and a molecular weight of 2499.78 g/mol. Its IUPAC name is tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 160711832
• Molecular Formula: C121H111F4N35O13S5
• Molecular Weight: 2499.78 g/mol
• Exact Mass: 2497.76
• IUPAC Name: tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COc1ccc(Cn2cc(-c3nc(C(=O)NC4=CCN=C4c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C5CC(OC)C5)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CCF)nc4-c4ccccn4)cs3)cn2)cc1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H27N7O3S.C25H22FN7O2S.C24H20N6O2S.C23H24N8O3S.C19H17N7OS.C2HF3O2/c1-37-21-8-6-18(7-9-21)14-34-15-19(13-30-34)28-32-25(17-39-28)27(36)31-24-16-35(20-11-22(12-20)38-2)33-26(24)23-5-3-4-10-29-23;1-35-19-7-5-17(6-8-19)13-33-14-18(12-28-33)25-30-22(16-36-25)24(34)29-21-15-32(11-9-26)31-23(21)20-4-2-3-10-27-20;1-32-18-7-5-16(6-8-18)13-30-14-17(12-27-30)24-29-21(15-33-24)23(31)28-20-9-11-26-22(20)19-4-2-3-10-25-19;1-23(2,3)34-22(33)30-10-15(11-30)31-12-17(19(29-31)16-6-4-5-7-24-16)27-20(32)18-13-35-21(28-18)14-8-25-26-9-14;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;3-2(4,5)1(6)7/h3-10,13,15-17,20,22H,11-12,14H2,1-2H3,(H,31,36);2-8,10,12,14-16H,9,11,13H2,1H3,(H,29,34);2-10,12,14-15H,11,13H2,1H3,(H,28,31);4-9,12-13,15H,10-11H2,1-3H3,(H,25,26)(H,27,32);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);(H,6,7)
• InChIKey: TVOWSIPOVALDID-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 572.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.78
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 160711832) is tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COc1ccc(Cn2cc(-c3nc(C(=O)NC4=CCN=C4c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C5CC(OC)C5)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CCF)nc4-c4ccccn4)cs3)cn2)cc1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is TVOWSIPOVALDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3S.C25H22FN7O2S.C24H20N6O2S.C23H24N8O3S.C19H17N7OS.C2HF3O2/c1-37-21-8-6-18(7-9-21)14-34-15-19(13-30-34)28-32-25(17-39-28)27(36)31-24-16-35(20-11-22(12-20)38-2)33-26(24)23-5-3-4-10-29-23;1-35-19-7-5-17(6-8-19)13-33-14-18(12-28-33)25-30-22(16-36-25)24(34)29-21-15-32(11-9-26)31-23(21)20-4-2-3-10-27-20;1-32-18-7-5-16(6-8-18)13-30-14-17(12-27-30)24-29-21(15-33-24)23(31)28-20-9-11-26-22(20)19-4-2-3-10-25-19;1-23(2,3)34-22(33)30-10-15(11-30)31-12-17(19(29-31)16-6-4-5-7-24-16)27-20(32)18-13-35-21(28-18)14-8-25-26-9-14;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;3-2(4,5)1(6)7/h3-10,13,15-17,20,22H,11-12,14H2,1-2H3,(H,31,36);2-8,10,12,14-16H,9,11,13H2,1H3,(H,29,34);2-10,12,14-15H,11,13H2,1H3,(H,28,31);4-9,12-13,15H,10-11H2,1-3H3,(H,25,26)(H,27,32);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);(H,6,7).

What are the key properties of tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 2499.78 g/mol, XLogP of 21.28, 35 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-2H-pyrrol-4-yl)-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160711832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).