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

C28H23N5O3 — CID 134320231

IUPAC6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(C2=C(Nc3ccon3)NC3=C(c4ccccc4)C(c4ccccc4)NN3C2=O)cc1
InChIInChI=1S/C28H23N5O3/c1-35-21-14-12-19(13-15-21)24-26(29-22-16-17-36-32-22)30-27-23(18-8-4-2-5-9-18)25(31-33(27)28(24)34)20-10-6-3-7-11-20/h2-17,25,30-31H,1H3,(H,29,32)
InChIKeyCDFLOPAPFNWRPC-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.52
Rot. Bonds6

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

6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134320231) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134320231
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC Name6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(C2=C(Nc3ccon3)NC3=C(c4ccccc4)C(c4ccccc4)NN3C2=O)cc1
InChIInChI=1S/C28H23N5O3/c1-35-21-14-12-19(13-15-21)24-26(29-22-16-17-36-32-22)30-27-23(18-8-4-2-5-9-18)25(31-33(27)28(24)34)20-10-6-3-7-11-20/h2-17,25,30-31H,1H3,(H,29,32)
InChIKeyCDFLOPAPFNWRPC-UHFFFAOYSA-N
XLogP4.52
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 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) is 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(C2=C(Nc3ccon3)NC3=C(c4ccccc4)C(c4ccccc4)NN3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CDFLOPAPFNWRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c1-35-21-14-12-19(13-15-21)24-26(29-22-16-17-36-32-22)30-27-23(18-8-4-2-5-9-18)25(31-33(27)28(24)34)20-10-6-3-7-11-20/h2-17,25,30-31H,1H3,(H,29,32).
What are the key properties of 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 477.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-(1,2-oxazol-3-ylamino)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134320231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).