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

C18H18N6O2 — CID 135583777

IUPAC4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H18N6O2/c19-9-13-16(12-3-1-2-4-15(12)24(25)26)14-10-21-23-18(14)22-17(13)11-5-7-20-8-6-11/h1-4,10-11,16,20H,5-8H2,(H2,21,22,23)
InChIKeyRZFRAIRJWOUNIY-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.65
Rot. Bonds3

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

4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583777) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583777
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H18N6O2/c19-9-13-16(12-3-1-2-4-15(12)24(25)26)14-10-21-23-18(14)22-17(13)11-5-7-20-8-6-11/h1-4,10-11,16,20H,5-8H2,(H2,21,22,23)
InChIKeyRZFRAIRJWOUNIY-UHFFFAOYSA-N
XLogP2.65
TPSA119.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584009
4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride
CID 135583983
4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584064
6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584167
(3S)-3-(2-nitrophenyl)pyrrolidine
CID 95436908
4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584171
4-(2-bromo-3-cyanophenyl)-6-[(1R,4S,6R)-2-methyl-2-azabicyclo[2.2.2]octan-6-yl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135970893
4-(2-hydroxy-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 5222990
2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrate
CID 51056763
4-(2,4-dinitrophenyl)piperidine
CID 15925829
(4S)-4-(2-nitrophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 7090616
(4R)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 737063

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583777) is 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is RZFRAIRJWOUNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-9-13-16(12-3-1-2-4-15(12)24(25)26)14-10-21-23-18(14)22-17(13)11-5-7-20-8-6-11/h1-4,10-11,16,20H,5-8H2,(H2,21,22,23).
What are the key properties of 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 350.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).