(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile

C19H14N4O2 — CID 7447052

IUPAC(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#C[C@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C19H14N4O2/c20-11-14-15(12-7-3-1-4-8-12)16-17(21-18(14)24)22-23(19(16)25)13-9-5-2-6-10-13/h1-10,14-15,22H,(H,21,24)/t14-,15+/m1/s1
InChIKeyQOAYDYAIKOZSBA-CABCVRRESA-N
MW330.35 g/mol
LogP2.39
Rot. Bonds2

About (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile

(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 7447052) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID7447052
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#C[C@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C19H14N4O2/c20-11-14-15(12-7-3-1-4-8-12)16-17(21-18(14)24)22-23(19(16)25)13-9-5-2-6-10-13/h1-10,14-15,22H,(H,21,24)/t14-,15+/m1/s1
InChIKeyQOAYDYAIKOZSBA-CABCVRRESA-N
XLogP2.39
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile (CID 7447052) is (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile is N#C[C@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is QOAYDYAIKOZSBA-CABCVRRESA-N. The full InChI is InChI=1S/C19H14N4O2/c20-11-14-15(12-7-3-1-4-8-12)16-17(21-18(14)24)22-23(19(16)25)13-9-5-2-6-10-13/h1-10,14-15,22H,(H,21,24)/t14-,15+/m1/s1.
What are the key properties of (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile?
(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 7447052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).