N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C22H21FN4O — CID 4179582

IUPACN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nn2c(NCc3ccc(F)cc3)cc(C)nc12
InChIInChI=1S/C22H21FN4O/c1-14-12-20(24-13-16-8-10-17(23)11-9-16)27-22(25-14)21(15(2)26-27)18-6-4-5-7-19(18)28-3/h4-12,24H,13H2,1-3H3
InChIKeyAJUDDBLEUOOQHT-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.77
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4179582) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4179582
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nn2c(NCc3ccc(F)cc3)cc(C)nc12
InChIInChI=1S/C22H21FN4O/c1-14-12-20(24-13-16-8-10-17(23)11-9-16)27-22(25-14)21(15(2)26-27)18-6-4-5-7-19(18)28-3/h4-12,24H,13H2,1-3H3
InChIKeyAJUDDBLEUOOQHT-UHFFFAOYSA-N
XLogP4.77
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4179582) is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1c(C)nn2c(NCc3ccc(F)cc3)cc(C)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AJUDDBLEUOOQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14-12-20(24-13-16-8-10-17(23)11-9-16)27-22(25-14)21(15(2)26-27)18-6-4-5-7-19(18)28-3/h4-12,24H,13H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4179582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).