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

C22H22ClFN8O — CID 171074970

IUPAC4-[[(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
SMILESCC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(OCc2ccc(F)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C22H22ClFN8O/c1-14(29-17-4-6-31(13-25)7-5-17)21(30-26)15-8-20(22-19(23)10-28-32(22)11-15)33-12-18-3-2-16(24)9-27-18/h2-3,8-11,17H,4-7,12,26H2,1H3/b29-14+,30-21+
InChIKeyIKVMZUKNIQOZDH-GVODOLINSA-N
MW468.92 g/mol
LogP3.17
Rot. Bonds6

About 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

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 (PubChem CID 171074970) has the molecular formula C22H22ClFN8O and a molecular weight of 468.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[(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
PubChem CID171074970
Molecular FormulaC22H22ClFN8O
Molecular Weight468.92 g/mol
Exact Mass468.16
IUPAC Name4-[[(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
SMILESCC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(OCc2ccc(F)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C22H22ClFN8O/c1-14(29-17-4-6-31(13-25)7-5-17)21(30-26)15-8-20(22-19(23)10-28-32(22)11-15)33-12-18-3-2-16(24)9-27-18/h2-3,8-11,17H,4-7,12,26H2,1H3/b29-14+,30-21+
InChIKeyIKVMZUKNIQOZDH-GVODOLINSA-N
XLogP3.17
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 53.17
H-Bond Donors ≤ 51
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

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-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane
CID 164921262
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-(2-hydroxy-1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile
CID 164921160
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920665
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
2-[3-chloro-6-(2-iminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol;ethane;3-methylpiperidine-1-carbonitrile
CID 164921020
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
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-[[(Z)-4-amino-3-[3-chloro-4-[1-(2-cyanophenyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]but-3-en-2-ylidene]amino]piperidine-1-carbonitrile;ethane
CID 164920613
(1Z)-1-[3-chloro-4-[2-(3,5-difluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidene-N-[1-(oxetan-3-yl)azetidin-3-yl]propan-2-imine
CID 169267380
2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
CID 164920337

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(OCc2ccc(F)cn2)c2c(Cl)cnn2c1.
What is the InChIKey of 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?
The InChIKey is IKVMZUKNIQOZDH-GVODOLINSA-N. The full InChI is InChI=1S/C22H22ClFN8O/c1-14(29-17-4-6-31(13-25)7-5-17)21(30-26)15-8-20(22-19(23)10-28-32(22)11-15)33-12-18-3-2-16(24)9-27-18/h2-3,8-11,17H,4-7,12,26H2,1H3/b29-14+,30-21+.
What are the key properties of 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?
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 has a molecular weight of 468.92 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171074970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).