6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C14H10N6O2 — CID 54752600

IUPAC6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c12
InChIInChI=1S/C14H10N6O2/c1-7-11-12(8-2-4-9(5-3-8)20(21)22)10(6-15)13(16)17-14(11)19-18-7/h2-5H,1H3,(H3,16,17,18,19)
InChIKeyLONADRCBHRHJCC-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.30
Rot. Bonds2

About 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 54752600) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID54752600
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1[nH]nc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c12
InChIInChI=1S/C14H10N6O2/c1-7-11-12(8-2-4-9(5-3-8)20(21)22)10(6-15)13(16)17-14(11)19-18-7/h2-5H,1H3,(H3,16,17,18,19)
InChIKeyLONADRCBHRHJCC-UHFFFAOYSA-N
XLogP2.30
TPSA134.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.30
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

2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
6-(2,4-dimethylphenyl)-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 118137064
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 162650950
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 883053
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
6-(2-fluoro-4-nitrophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160983720
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
6-amino-4-[2-[5-[2-(6-amino-5-cyano-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenoxy]pentoxy]phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 54752606
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 54752600) is 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1[nH]nc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c12.
What is the InChIKey of 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is LONADRCBHRHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c1-7-11-12(8-2-4-9(5-3-8)20(21)22)10(6-15)13(16)17-14(11)19-18-7/h2-5H,1H3,(H3,16,17,18,19).
What are the key properties of 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 294.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 54752600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).