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

C17H18N4O — CID 91067541

IUPAC5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1ccccc1OC
InChIInChI=1S/C17H18N4O/c1-4-7-13-16(18-2)15(12-10-19-21-17(12)20-13)11-8-5-6-9-14(11)22-3/h5-6,8-10,15-16H,4,7H2,1,3H3,(H,19,21)
InChIKeyRLULCEJQUBQMNN-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.72
Rot. Bonds4

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

5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 91067541) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID91067541
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILES[C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1ccccc1OC
InChIInChI=1S/C17H18N4O/c1-4-7-13-16(18-2)15(12-10-19-21-17(12)20-13)11-8-5-6-9-14(11)22-3/h5-6,8-10,15-16H,4,7H2,1,3H3,(H,19,21)
InChIKeyRLULCEJQUBQMNN-UHFFFAOYSA-N
XLogP3.72
TPSA54.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.72
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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Related Compounds

4-(2,3-dichlorophenyl)-5-isocyano-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 90966764
5-isocyano-4-(6-methyl-2-pyridinyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91424024
ethyl 4-(2,5-dimethoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91206556
5-isocyano-4-(2-methylphenyl)-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91281040
ethyl 4-(2-fluorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91273068
ethyl 4-(2-nitrophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90999871
4-(2-chlorophenyl)-6-cyclopentyl-5-isocyano-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 91448644
2-bromo-3-(6-propyl-5-pyridin-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 90982865
ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90752793
ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90809353
4-(5-isocyano-6-phenyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)-2,1,3-benzoxadiazole
CID 91139812
4-(2-chlorophenyl)-5-isocyano-6-propyl-3-thiophen-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 90990158

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 91067541) is 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is [C-]#[N+]C1C(CCC)=Nc2[nH]ncc2C1c1ccccc1OC.
What is the InChIKey of 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is RLULCEJQUBQMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-4-7-13-16(18-2)15(12-10-19-21-17(12)20-13)11-8-5-6-9-14(11)22-3/h5-6,8-10,15-16H,4,7H2,1,3H3,(H,19,21).
What are the key properties of 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine?
5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 294.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-4-(2-methoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 91067541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).