2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide

C32H30F3N7O2S — CID 170379471

About 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide

2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 170379471) has the molecular formula C32H30F3N7O2S and a molecular weight of 633.70 g/mol. Its IUPAC name is 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 170379471
• Molecular Formula: C32H30F3N7O2S
• Molecular Weight: 633.70 g/mol
• Exact Mass: 633.21
• IUPAC Name: 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
• SMILES: Cc1c(-c2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12
• InChI: InChI=1S/C32H30F3N7O2S/c1-19-22(20-2-4-21(5-3-20)40-11-13-44-14-12-40)16-24(32(33,34)35)23-17-42(39-26(19)23)28(29(43)38-30-36-10-15-45-30)27-25-6-7-31(8-9-31)41(25)18-37-27/h2-5,10,15-18,28H,6-9,11-14H2,1H3,(H,36,38,43)
• InChIKey: UYUPHGDWHMRENJ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.70
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide (CID 170379471) is 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide is Cc1c(-c2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12.

What is the InChIKey of 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is UYUPHGDWHMRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7O2S/c1-19-22(20-2-4-21(5-3-20)40-11-13-44-14-12-40)16-24(32(33,34)35)23-17-42(39-26(19)23)28(29(43)38-30-36-10-15-45-30)27-25-6-7-31(8-9-31)41(25)18-37-27/h2-5,10,15-18,28H,6-9,11-14H2,1H3,(H,36,38,43).

What are the key properties of 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide?

2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 633.70 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-methyl-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 170379471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).