2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H20N4O2 — CID 82273300

IUPAC2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccn3)c(C)[nH]n2c(=O)c1CCOc1ccccc1
InChIInChI=1S/C21H20N4O2/c1-14-17(11-13-27-16-8-4-3-5-9-16)21(26)25-20(23-14)19(15(2)24-25)18-10-6-7-12-22-18/h3-10,12,24H,11,13H2,1-2H3
InChIKeyBZNOEJFUZBNYFC-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.32
Rot. Bonds5

About 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273300) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273300
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccn3)c(C)[nH]n2c(=O)c1CCOc1ccccc1
InChIInChI=1S/C21H20N4O2/c1-14-17(11-13-27-16-8-4-3-5-9-16)21(26)25-20(23-14)19(15(2)24-25)18-10-6-7-12-22-18/h3-10,12,24H,11,13H2,1-2H3
InChIKeyBZNOEJFUZBNYFC-UHFFFAOYSA-N
XLogP3.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273394
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
5-methyl-6-(3-phenoxypropyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273472
2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063
3-(4-bromophenyl)-6-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17147858
6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17027570
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168379
6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1370222
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 138472633
N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
CID 134307713
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719025

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273300) is 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccn3)c(C)[nH]n2c(=O)c1CCOc1ccccc1.
What is the InChIKey of 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BZNOEJFUZBNYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-17(11-13-27-16-8-4-3-5-9-16)21(26)25-20(23-14)19(15(2)24-25)18-10-6-7-12-22-18/h3-10,12,24H,11,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(2-phenoxyethyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).