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

C29H22N4O3 — CID 148809139

IUPAC6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Nc3ccno3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C29H22N4O3/c1-35-22-14-12-20(13-15-22)26-23(31-25-16-17-30-36-25)18-24-27(19-8-4-2-5-9-19)28(32-33(24)29(26)34)21-10-6-3-7-11-21/h2-17,31H,18H2,1H3
InChIKeyOPOBTQVQJOPCBZ-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.93
Rot. Bonds6

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

6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 148809139) has the molecular formula C29H22N4O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID148809139
Molecular FormulaC29H22N4O3
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC Name6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Nc3ccno3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C29H22N4O3/c1-35-22-14-12-20(13-15-22)26-23(31-25-16-17-30-36-25)18-24-27(19-8-4-2-5-9-19)28(32-33(24)29(26)34)21-10-6-3-7-11-21/h2-17,31H,18H2,1H3
InChIKeyOPOBTQVQJOPCBZ-UHFFFAOYSA-N
XLogP5.93
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 148809139) is 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(Nc3ccno3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is OPOBTQVQJOPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O3/c1-35-22-14-12-20(13-15-22)26-23(31-25-16-17-30-36-25)18-24-27(19-8-4-2-5-9-19)28(32-33(24)29(26)34)21-10-6-3-7-11-21/h2-17,31H,18H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
6-(4-methoxyphenyl)-5-(1,2-oxazol-5-ylamino)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 474.52 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 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-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 148809139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).