N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H27FN4O — CID 4048263

About N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4048263) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 4048263
• Molecular Formula: C26H27FN4O
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.22
• IUPAC Name: N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc(F)cc4)cnn3c2C)c(C)c1
• InChI: InChI=1S/C26H27FN4O/c1-15-10-16(2)22(17(3)11-15)12-23-18(4)30-25-24(14-29-31(25)19(23)5)26(32)28-13-20-6-8-21(27)9-7-20/h6-11,14H,12-13H2,1-5H3,(H,28,32)
• InChIKey: KGJIKKKUJQPAEU-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4048263) is N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc(F)cc4)cnn3c2C)c(C)c1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KGJIKKKUJQPAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-15-10-16(2)22(17(3)11-15)12-23-18(4)30-25-24(14-29-31(25)19(23)5)26(32)28-13-20-6-8-21(27)9-7-20/h6-11,14H,12-13H2,1-5H3,(H,28,32).

What are the key properties of N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4048263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).