6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23FN4O2 — CID 4130180

IUPAC6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(F)cc3)c(C)nc12
InChIInChI=1S/C24H23FN4O2/c1-15-20(12-17-8-10-19(25)11-9-17)16(2)29-23(28-15)21(14-27-29)24(30)26-13-18-6-4-5-7-22(18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyCEJOXQYXPRUYSL-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.01
Rot. Bonds6

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

6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4130180) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4130180
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(F)cc3)c(C)nc12
InChIInChI=1S/C24H23FN4O2/c1-15-20(12-17-8-10-19(25)11-9-17)16(2)29-23(28-15)21(14-27-29)24(30)26-13-18-6-4-5-7-22(18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyCEJOXQYXPRUYSL-UHFFFAOYSA-N
XLogP4.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4130180) is 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(F)cc3)c(C)nc12.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CEJOXQYXPRUYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-20(12-17-8-10-19(25)11-9-17)16(2)29-23(28-15)21(14-27-29)24(30)26-13-18-6-4-5-7-22(18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30).
What are the key properties of 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4130180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).