N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

C77H90N20O6S3 — CID 160681887

About N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 160681887) has the molecular formula C77H90N20O6S3 and a molecular weight of 1487.90 g/mol. Its IUPAC name is N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
• PubChem CID: 160681887
• Molecular Formula: C77H90N20O6S3
• Molecular Weight: 1487.90 g/mol
• Exact Mass: 1486.65
• IUPAC Name: N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1.CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccncc2)s1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)cc1
• InChI: InChI=1S/C29H33N7O2S.C27H29N7O3S.C21H28N6OS/c1-18-5-10-21(11-6-18)36-25(16-23(35-36)29(2,3)4)33-27(38)34-28-31-17-22(39-28)12-7-19-13-14-30-24(15-19)32-26(37)20-8-9-20;1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)35;1-14(2)27-18(12-17(26-27)21(3,4)5)24-19(28)25-20-23-13-16(29-20)7-6-15-8-10-22-11-9-15/h5-6,10-11,13-17,20H,7-9,12H2,1-4H3,(H,30,32,37)(H2,31,33,34,38);4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);8-14H,6-7H2,1-5H3,(H2,23,24,25,28)
• InChIKey: ROGHKDGOQFVCNN-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 321.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1487.90
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (CID 160681887) is N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1.CC(C)n1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccncc2)s1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)cc1.

What is the InChIKey of N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

The InChIKey is ROGHKDGOQFVCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2S.C27H29N7O3S.C21H28N6OS/c1-18-5-10-21(11-6-18)36-25(16-23(35-36)29(2,3)4)33-27(38)34-28-31-17-22(39-28)12-7-19-13-14-30-24(15-19)32-26(37)20-8-9-20;1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)35;1-14(2)27-18(12-17(26-27)21(3,4)5)24-19(28)25-20-23-13-16(29-20)7-6-15-8-10-22-11-9-15/h5-6,10-11,13-17,20H,7-9,12H2,1-4H3,(H,30,32,37)(H2,31,33,34,38);4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);8-14H,6-7H2,1-5H3,(H2,23,24,25,28).

What are the key properties of N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 1487.90 g/mol, XLogP of 15.86, 22 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 160681887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).