2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide

C26H33F3N6OS — CID 56683116

About 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide

2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide (PubChem CID 56683116) has the molecular formula C26H33F3N6OS and a molecular weight of 534.65 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide
• PubChem CID: 56683116
• Molecular Formula: C26H33F3N6OS
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.24
• IUPAC Name: 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide
• SMILES: CC(C)c1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
• InChI: InChI=1S/C26H33F3N6OS/c1-15(2)25-31-11-22(37-25)16-4-7-19(8-5-16)35-13-18(14-35)32-23(36)12-30-24-20-10-17(26(27,28)29)6-9-21(20)34(3)33-24/h6,9-11,15-16,18-19H,4-5,7-8,12-14H2,1-3H3,(H,30,33)(H,32,36)
• InChIKey: WLCRNAWGAIMIQQ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide?

The IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide (CID 56683116) is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide.

What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide?

The canonical SMILES for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide is CC(C)c1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1.

What is the InChIKey of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide?

The InChIKey is WLCRNAWGAIMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6OS/c1-15(2)25-31-11-22(37-25)16-4-7-19(8-5-16)35-13-18(14-35)32-23(36)12-30-24-20-10-17(26(27,28)29)6-9-21(20)34(3)33-24/h6,9-11,15-16,18-19H,4-5,7-8,12-14H2,1-3H3,(H,30,33)(H,32,36).

What are the key properties of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide?

2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide has a molecular weight of 534.65 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 56683116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).