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

C28H21N5O3 — CID 134305948

IUPAC6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cnoc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C28H21N5O3/c1-35-22-14-12-19(13-15-22)24-26(30-21-16-29-36-17-21)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
InChIKeyICJXKQBFCOMFEQ-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.76
Rot. Bonds6

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

6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134305948) 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-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134305948
Molecular FormulaC28H21N5O3
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC Name6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cnoc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C28H21N5O3/c1-35-22-14-12-19(13-15-22)24-26(30-21-16-29-36-17-21)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
InChIKeyICJXKQBFCOMFEQ-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134305948) is 6-(4-methoxyphenyl)-5-(1,2-oxazol-4-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-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3cnoc3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(1,2-oxazol-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ICJXKQBFCOMFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O3/c1-35-22-14-12-19(13-15-22)24-26(30-21-16-29-36-17-21)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-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-5-(1,2-oxazol-4-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-4-ylamino)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134305948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).