2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide

C31H37F3N6O — CID 71238897

About 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide

2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide (PubChem CID 71238897) has the molecular formula C31H37F3N6O and a molecular weight of 566.67 g/mol. Its IUPAC name is 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
• PubChem CID: 71238897
• Molecular Formula: C31H37F3N6O
• Molecular Weight: 566.67 g/mol
• Exact Mass: 566.30
• IUPAC Name: 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
• SMILES: Cc1ccc(C(C)C)cc1N1CCc2nc(-c3ccccc3C(F)(F)F)nc(N3CCN(CC(N)=O)C(C)C3)c2C1
• InChI: InChI=1S/C31H37F3N6O/c1-19(2)22-10-9-20(3)27(15-22)39-12-11-26-24(17-39)30(40-14-13-38(18-28(35)41)21(4)16-40)37-29(36-26)23-7-5-6-8-25(23)31(32,33)34/h5-10,15,19,21H,11-14,16-18H2,1-4H3,(H2,35,41)
• InChIKey: CPRNTXZKVAVCDI-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 78.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.67
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?

The IUPAC name of 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide (CID 71238897) is 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide.

What is the SMILES notation for 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?

The canonical SMILES for 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3ccccc3C(F)(F)F)nc(N3CCN(CC(N)=O)C(C)C3)c2C1.

What is the InChIKey of 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?

The InChIKey is CPRNTXZKVAVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N6O/c1-19(2)22-10-9-20(3)27(15-22)39-12-11-26-24(17-39)30(40-14-13-38(18-28(35)41)21(4)16-40)37-29(36-26)23-7-5-6-8-25(23)31(32,33)34/h5-10,15,19,21H,11-14,16-18H2,1-4H3,(H2,35,41).

What are the key properties of 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide?

2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide has a molecular weight of 566.67 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-[6-(2-methyl-5-propan-2-ylphenyl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71238897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).