5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H25FN4O2 — CID 46382071

IUPAC5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C24H25FN4O2/c1-17-3-7-19(8-4-17)22-14-23-26-21(13-24(30)29(23)27-22)16-28(11-12-31-2)15-18-5-9-20(25)10-6-18/h3-10,13-14,27H,11-12,15-16H2,1-2H3
InChIKeyCAFNVCKSORKLTN-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.79
Rot. Bonds8

About 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46382071) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46382071
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C24H25FN4O2/c1-17-3-7-19(8-4-17)22-14-23-26-21(13-24(30)29(23)27-22)16-28(11-12-31-2)15-18-5-9-20(25)10-6-18/h3-10,13-14,27H,11-12,15-16H2,1-2H3
InChIKeyCAFNVCKSORKLTN-UHFFFAOYSA-N
XLogP3.79
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46382071) is 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CAFNVCKSORKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-17-3-7-19(8-4-17)22-14-23-26-21(13-24(30)29(23)27-22)16-28(11-12-31-2)15-18-5-9-20(25)10-6-18/h3-10,13-14,27H,11-12,15-16H2,1-2H3.
What are the key properties of 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 420.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46382071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).