2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one

C20H15N5O3 — CID 158351709

IUPAC2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nc2c(=O)[nH]ccc2o1
InChIInChI=1S/C20H15N5O3/c1-10-15(19-23-16-13(28-19)8-9-21-18(16)26)20(27)25-17(22-10)14(11(2)24-25)12-6-4-3-5-7-12/h3-9,24H,1-2H3,(H,21,26)
InChIKeyHMXHNZYAPMKVIV-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.80
Rot. Bonds2

About 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one

2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one (PubChem CID 158351709) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one
PubChem CID158351709
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nc2c(=O)[nH]ccc2o1
InChIInChI=1S/C20H15N5O3/c1-10-15(19-23-16-13(28-19)8-9-21-18(16)26)20(27)25-17(22-10)14(11(2)24-25)12-6-4-3-5-7-12/h3-9,24H,1-2H3,(H,21,26)
InChIKeyHMXHNZYAPMKVIV-UHFFFAOYSA-N
XLogP2.80
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-6-(4-methyl-1,3-benzoxazol-2-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 160934701
6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 159769981
2,5-dimethyl-3-phenyl-6-[4-[2-(prop-1-en-2-ylamino)ethoxy]-1,3-benzoxazol-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157245171
2,5-dimethyl-6-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]-1,3-benzoxazol-2-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146710512
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-benzoxazole-4-carbonitrile
CID 138557516
3-(3-fluorophenyl)-6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158958933
5-methyl-3-phenyl-6-(4-phenylmethoxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557645
6-(7-methoxy-[1,3]oxazolo[5,4-c]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557302
5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
CID 158780230
[2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-benzoxazol-4-yl] N,N-dimethylcarbamate
CID 138557231
2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 159321696
2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one (CID 158351709) is 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nc2c(=O)[nH]ccc2o1.
What is the InChIKey of 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is HMXHNZYAPMKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-10-15(19-23-16-13(28-19)8-9-21-18(16)26)20(27)25-17(22-10)14(11(2)24-25)12-6-4-3-5-7-12/h3-9,24H,1-2H3,(H,21,26).
What are the key properties of 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one?
2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 373.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 158351709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).