4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

C30H25F3N6O2S — CID 147679538

About 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 147679538) has the molecular formula C30H25F3N6O2S and a molecular weight of 590.63 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
• PubChem CID: 147679538
• Molecular Formula: C30H25F3N6O2S
• Molecular Weight: 590.63 g/mol
• Exact Mass: 590.17
• IUPAC Name: 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
• SMILES: Cc1ccc(C(=O)Cc2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(NC3CC3)ncnc12
• InChI: InChI=1S/C30H25F3N6O2S/c1-16-3-4-19(25(40)11-18-9-20(30(31,32)33)13-22(10-18)39-8-7-34-17(39)2)12-24(16)38-29(41)23-14-42-27-26(23)35-15-36-28(27)37-21-5-6-21/h3-4,7-10,12-15,21H,5-6,11H2,1-2H3,(H,38,41)(H,35,36,37)
• InChIKey: GOVMGBUUYPYXRB-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.63
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?

The IUPAC name of 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 147679538) is 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?

The canonical SMILES for 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(C(=O)Cc2cc(-n3ccnc3C)cc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(NC3CC3)ncnc12.

What is the InChIKey of 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?

The InChIKey is GOVMGBUUYPYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O2S/c1-16-3-4-19(25(40)11-18-9-20(30(31,32)33)13-22(10-18)39-8-7-34-17(39)2)12-24(16)38-29(41)23-14-42-27-26(23)35-15-36-28(27)37-21-5-6-21/h3-4,7-10,12-15,21H,5-6,11H2,1-2H3,(H,38,41)(H,35,36,37).

What are the key properties of 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?

4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 590.63 g/mol, XLogP of 6.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylamino)-N-[2-methyl-5-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 147679538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).