6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C28H21N5O3 — CID 134306073

IUPAC6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccno3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C28H21N5O3/c1-35-21-14-12-19(13-15-21)24-26(30-22-16-17-29-36-22)31-27-23(18-8-4-2-5-9-18)25(32-33(27)28(24)34)20-10-6-3-7-11-20/h2-17,30,32H,1H3
InChIKeyQVEHQFKXPHWCKX-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.76
Rot. Bonds6

About 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134306073) has the molecular formula C28H21N5O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134306073
Molecular FormulaC28H21N5O3
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC Name6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccno3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C28H21N5O3/c1-35-21-14-12-19(13-15-21)24-26(30-22-16-17-29-36-22)31-27-23(18-8-4-2-5-9-18)25(32-33(27)28(24)34)20-10-6-3-7-11-20/h2-17,30,32H,1H3
InChIKeyQVEHQFKXPHWCKX-UHFFFAOYSA-N
XLogP5.76
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305963
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307247
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307398
6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305948
6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305988
6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134320120
6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134320231
6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 148809139

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134306073) is 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccno3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QVEHQFKXPHWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O3/c1-35-21-14-12-19(13-15-21)24-26(30-22-16-17-29-36-22)31-27-23(18-8-4-2-5-9-18)25(32-33(27)28(24)34)20-10-6-3-7-11-20/h2-17,30,32H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 475.51 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134306073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).