6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile

C17H18N8O — CID 164920665

IUPAC6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(O)c2c(C#N)cnn2c1
InChIInChI=1S/C17H18N8O/c1-11(22-14-2-4-24(10-19)5-3-14)16(23-20)12-6-15(26)17-13(7-18)8-21-25(17)9-12/h6,8-9,14,26H,2-5,20H2,1H3/b22-11+,23-16+
InChIKeyVNZWKADILOGMPV-KEVKURSMSA-N
MW350.39 g/mol
LogP0.98
Rot. Bonds3

About 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920665) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920665
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(O)c2c(C#N)cnn2c1
InChIInChI=1S/C17H18N8O/c1-11(22-14-2-4-24(10-19)5-3-14)16(23-20)12-6-15(26)17-13(7-18)8-21-25(17)9-12/h6,8-9,14,26H,2-5,20H2,1H3/b22-11+,23-16+
InChIKeyVNZWKADILOGMPV-KEVKURSMSA-N
XLogP0.98
TPSA139.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(1-propan-2-yltriazol-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920905
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921348
4-[[(1Z)-1-[3-chloro-4-[(5-fluoro-2-pyridinyl)methoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile
CID 171074970
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920720
4-[[(1Z)-1-[3-fluoro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile
CID 164921341
4-[[(1Z)-1-[3-chloro-4-(2-hydroxy-1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile
CID 164921160
4-[2-(3,5-difluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[2-[1-(oxetan-3-yl)piperidin-4-yl]iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267503
4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267257
6-(2-piperidin-4-yliminopropanehydrazonoyl)-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921064
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminoprop-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921432
2-[1-[3-cyano-6-[2-(1-formylpiperidin-4-yl)iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-N,N-dimethylbenzamide;2-methoxy-2-methylpropane
CID 164921223

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920665) is 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(O)c2c(C#N)cnn2c1.
What is the InChIKey of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VNZWKADILOGMPV-KEVKURSMSA-N. The full InChI is InChI=1S/C17H18N8O/c1-11(22-14-2-4-24(10-19)5-3-14)16(23-20)12-6-15(26)17-13(7-18)8-21-25(17)9-12/h6,8-9,14,26H,2-5,20H2,1H3/b22-11+,23-16+.
What are the key properties of 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 350.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).