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

C20H15N5O3 — CID 135584167

IUPAC6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccccc1C1=C(C#N)C(c2ccccc2[N+](=O)[O-])c2cn[nH]c2N1
InChIInChI=1S/C20H15N5O3/c1-28-17-9-5-3-7-13(17)19-14(10-21)18(15-11-22-24-20(15)23-19)12-6-2-4-8-16(12)25(26)27/h2-9,11,18H,1H3,(H2,22,23,24)
InChIKeyLWPLORIOUYQCBI-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.82
Rot. Bonds4

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

6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135584167) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135584167
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccccc1C1=C(C#N)C(c2ccccc2[N+](=O)[O-])c2cn[nH]c2N1
InChIInChI=1S/C20H15N5O3/c1-28-17-9-5-3-7-13(17)19-14(10-21)18(15-11-22-24-20(15)23-19)12-6-2-4-8-16(12)25(26)27/h2-9,11,18H,1H3,(H2,22,23,24)
InChIKeyLWPLORIOUYQCBI-UHFFFAOYSA-N
XLogP3.82
TPSA116.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
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-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583777
4-(3-methyl-2-nitrophenyl)-6-propan-2-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584171
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
4-(2-hydroxy-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 5222990
(4R)-6-amino-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1287442
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
methyl 5-cyano-6-(diethylamino)-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 134923544
2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrate
CID 51056763
6-(2-methoxyphenyl)-2-(methylamino)-3-nitrobenzonitrile
CID 59218653
(4R)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 737063
(4R)-2-amino-4-(2-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 40548919

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135584167) is 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccccc1C1=C(C#N)C(c2ccccc2[N+](=O)[O-])c2cn[nH]c2N1.
What is the InChIKey of 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is LWPLORIOUYQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-28-17-9-5-3-7-13(17)19-14(10-21)18(15-11-22-24-20(15)23-19)12-6-2-4-8-16(12)25(26)27/h2-9,11,18H,1H3,(H2,22,23,24).
What are the key properties of 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 373.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-4-(2-nitrophenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135584167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).