4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile

C16H14N6O2 — CID 137275165

IUPAC4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCO1
InChIInChI=1S/C16H14N6O2/c17-8-12-10-21(6-7-24-12)16-19-14-13(15(23)20-16)9-18-22(14)11-4-2-1-3-5-11/h1-5,9,12H,6-7,10H2,(H,19,20,23)
InChIKeyKFLJLZGJMIGBRD-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.84
Rot. Bonds2

About 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile

4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile (PubChem CID 137275165) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile
PubChem CID137275165
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCO1
InChIInChI=1S/C16H14N6O2/c17-8-12-10-21(6-7-24-12)16-19-14-13(15(23)20-16)9-18-22(14)11-4-2-1-3-5-11/h1-5,9,12H,6-7,10H2,(H,19,20,23)
InChIKeyKFLJLZGJMIGBRD-UHFFFAOYSA-N
XLogP0.84
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(oxolan-2-yl)morpholin-4-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166216929
6-[(3S)-3-hydroxypiperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757975
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757977
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275458
4-phenylmorpholine-2-carbonitrile
CID 67651414
6-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267483
6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991244
1-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-4-carbonitrile
CID 135965634
6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268735
6-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166217841
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269886

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile (CID 137275165) is 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile is N#CC1CN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCO1.
What is the InChIKey of 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile?
The InChIKey is KFLJLZGJMIGBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-8-12-10-21(6-7-24-12)16-19-14-13(15(23)20-16)9-18-22(14)11-4-2-1-3-5-11/h1-5,9,12H,6-7,10H2,(H,19,20,23).
What are the key properties of 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile?
4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile has a molecular weight of 322.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 137275165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).