2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C30H25F6N7O2S — CID 174212608

About 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 174212608) has the molecular formula C30H25F6N7O2S and a molecular weight of 661.63 g/mol. Its IUPAC name is 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 174212608
• Molecular Formula: C30H25F6N7O2S
• Molecular Weight: 661.63 g/mol
• Exact Mass: 661.17
• IUPAC Name: 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1ncn2c1CC(F)C2)n1cc2c(C(F)(F)F)cc(-c3ccc(N4CCOCC4)cc3)c(C(F)F)c2n1
• InChI: InChI=1S/C30H25F6N7O2S/c31-17-11-22-25(38-15-42(22)13-17)26(28(44)39-29-37-5-10-46-29)43-14-20-21(30(34,35)36)12-19(23(27(32)33)24(20)40-43)16-1-3-18(4-2-16)41-6-8-45-9-7-41/h1-5,10,12,14-15,17,26-27H,6-9,11,13H2,(H,37,39,44)
• InChIKey: OCFKBMYROUKDOR-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.63
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 174212608) is 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CC(F)C2)n1cc2c(C(F)(F)F)cc(-c3ccc(N4CCOCC4)cc3)c(C(F)F)c2n1.

What is the InChIKey of 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is OCFKBMYROUKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F6N7O2S/c31-17-11-22-25(38-15-42(22)13-17)26(28(44)39-29-37-5-10-46-29)43-14-20-21(30(34,35)36)12-19(23(27(32)33)24(20)40-43)16-1-3-18(4-2-16)41-6-8-45-9-7-41/h1-5,10,12,14-15,17,26-27H,6-9,11,13H2,(H,37,39,44).

What are the key properties of 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 661.63 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(difluoromethyl)-6-(4-morpholin-4-ylphenyl)-4-(trifluoromethyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 174212608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).