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

C27H23N7O3 — CID 134320131

IUPAC5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(C2=C(Nc3nonc3N)NC3=C(c4ccccc4)C(c4ccccc4)NN3C2=O)cc1
InChIInChI=1S/C27H23N7O3/c1-36-19-14-12-17(13-15-19)21-24(29-25-23(28)32-37-33-25)30-26-20(16-8-4-2-5-9-16)22(31-34(26)27(21)35)18-10-6-3-7-11-18/h2-15,22,30-31H,1H3,(H2,28,32)(H,29,33)
InChIKeyFCJNBTYOFNLEOD-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.50
Rot. Bonds6

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

5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134320131) has the molecular formula C27H23N7O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134320131
Molecular FormulaC27H23N7O3
Molecular Weight493.53 g/mol
Exact Mass493.19
IUPAC Name5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(C2=C(Nc3nonc3N)NC3=C(c4ccccc4)C(c4ccccc4)NN3C2=O)cc1
InChIInChI=1S/C27H23N7O3/c1-36-19-14-12-17(13-15-19)21-24(29-25-23(28)32-37-33-25)30-26-20(16-8-4-2-5-9-16)22(31-34(26)27(21)35)18-10-6-3-7-11-18/h2-15,22,30-31H,1H3,(H2,28,32)(H,29,33)
InChIKeyFCJNBTYOFNLEOD-UHFFFAOYSA-N
XLogP3.50
TPSA130.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134320131) is 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(C2=C(Nc3nonc3N)NC3=C(c4ccccc4)C(c4ccccc4)NN3C2=O)cc1.
What is the InChIKey of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FCJNBTYOFNLEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3/c1-36-19-14-12-17(13-15-19)21-24(29-25-23(28)32-37-33-25)30-26-20(16-8-4-2-5-9-16)22(31-34(26)27(21)35)18-10-6-3-7-11-18/h2-15,22,30-31H,1H3,(H2,28,32)(H,29,33).
What are the key properties of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 493.53 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134320131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).