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

C17H18N4 — CID 135583928

IUPAC4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccccc2C)c2cn[nH]c2N1
InChIInChI=1S/C17H18N4/c1-3-6-15-13(9-18)16(12-8-5-4-7-11(12)2)14-10-19-21-17(14)20-15/h4-5,7-8,10,16H,3,6H2,1-2H3,(H2,19,20,21)
InChIKeyPZSPBCACMABJKV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.85
Rot. Bonds3

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

4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583928) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583928
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCCCC1=C(C#N)C(c2ccccc2C)c2cn[nH]c2N1
InChIInChI=1S/C17H18N4/c1-3-6-15-13(9-18)16(12-8-5-4-7-11(12)2)14-10-19-21-17(14)20-15/h4-5,7-8,10,16H,3,6H2,1-2H3,(H2,19,20,21)
InChIKeyPZSPBCACMABJKV-UHFFFAOYSA-N
XLogP3.85
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583928) is 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is CCCC1=C(C#N)C(c2ccccc2C)c2cn[nH]c2N1.
What is the InChIKey of 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is PZSPBCACMABJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-6-15-13(9-18)16(12-8-5-4-7-11(12)2)14-10-19-21-17(14)20-15/h4-5,7-8,10,16H,3,6H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).