4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H13N5O2 — CID 135584009

IUPAC4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13N5O2/c20-10-14-17(13-8-4-5-9-16(13)24(25)26)15-11-21-23-19(15)22-18(14)12-6-2-1-3-7-12/h1-9,11,17H,(H2,21,22,23)
InChIKeyTURRZPUUEVYCMU-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.81
Rot. Bonds3

About 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584009) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584009
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13N5O2/c20-10-14-17(13-8-4-5-9-16(13)24(25)26)15-11-21-23-19(15)22-18(14)12-6-2-1-3-7-12/h1-9,11,17H,(H2,21,22,23)
InChIKeyTURRZPUUEVYCMU-UHFFFAOYSA-N
XLogP3.81
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584009) is 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is TURRZPUUEVYCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c20-10-14-17(13-8-4-5-9-16(13)24(25)26)15-11-21-23-19(15)22-18(14)12-6-2-1-3-7-12/h1-9,11,17H,(H2,21,22,23).
What are the key properties of 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 343.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).