5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

C16H17N5 — CID 91424024

IUPAC5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc(C)n1
InChIInChI=1S/C16H17N5/c1-4-6-13-15(17-3)14(11-9-18-21-16(11)20-13)12-8-5-7-10(2)19-12/h5,7-9,14-15H,4,6H2,1-2H3,(H,18,21)
InChIKeyJMXNOYFYPDYOMS-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.42
Rot. Bonds3

About 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine

5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 91424024) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID91424024
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc(C)n1
InChIInChI=1S/C16H17N5/c1-4-6-13-15(17-3)14(11-9-18-21-16(11)20-13)12-8-5-7-10(2)19-12/h5,7-9,14-15H,4,6H2,1-2H3,(H,18,21)
InChIKeyJMXNOYFYPDYOMS-UHFFFAOYSA-N
XLogP3.42
TPSA58.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 91424024) is 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is [C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1cccc(C)n1.
What is the InChIKey of 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is JMXNOYFYPDYOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-4-6-13-15(17-3)14(11-9-18-21-16(11)20-13)12-8-5-7-10(2)19-12/h5,7-9,14-15H,4,6H2,1-2H3,(H,18,21).
What are the key properties of 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 279.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 91424024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).