4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide

C25H20N6O3 — CID 134135232

IUPAC4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C25H20N6O3/c1-34-20-14-12-17(13-15-20)23(32)28-29-25-27-22-21(16-26-31(22)19-10-6-3-7-11-19)24(33)30(25)18-8-4-2-5-9-18/h2-16H,1H3,(H,27,29)(H,28,32)
InChIKeyXPBAWTOJNHVFMH-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.34
Rot. Bonds6

About 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide

4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide (PubChem CID 134135232) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide
PubChem CID134135232
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C25H20N6O3/c1-34-20-14-12-17(13-15-20)23(32)28-29-25-27-22-21(16-26-31(22)19-10-6-3-7-11-19)24(33)30(25)18-8-4-2-5-9-18/h2-16H,1H3,(H,27,29)(H,28,32)
InChIKeyXPBAWTOJNHVFMH-UHFFFAOYSA-N
XLogP3.34
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
6-(3-fluorophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990659
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)-2-phenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307398
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
5-(4-methoxyphenyl)-6-methyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 750040
5-(4-methoxyphenethyl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 2033978
N-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]-4-phenoxybenzamide
CID 2084086
5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3236811
3-[(3-methoxybenzylidene)amino]-7-phenyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 6877167
5-(4-methoxyphenethyl)-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 8031490

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide?
The IUPAC name of 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide (CID 134135232) is 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide?
The canonical SMILES for 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide is COc1ccc(C(=O)NNc2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide?
The InChIKey is XPBAWTOJNHVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c1-34-20-14-12-17(13-15-20)23(32)28-29-25-27-22-21(16-26-31(22)19-10-6-3-7-11-19)24(33)30(25)18-8-4-2-5-9-18/h2-16H,1H3,(H,27,29)(H,28,32).
What are the key properties of 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide?
4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide has a molecular weight of 452.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(4-oxo-1,5-diphenylpyrazolo[5,4-d]pyrimidin-6-yl)benzohydrazide is sourced from PubChem (CID 134135232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).