4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile

C24H26ClFN8O2 — CID 164920371

IUPAC4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1C)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H26ClFN8O2/c1-14-10-33(13-27)6-5-19(14)31-15(2)23(32-28)16-7-21(24-18(25)9-30-34(24)11-16)36-22(12-35)20-4-3-17(26)8-29-20/h3-4,7-9,11,14,19,22,35H,5-6,10,12,28H2,1-2H3/b31-15+,32-23+
InChIKeyAQOHJLSSCOAQSF-WQZMNTFSSA-N
MW512.98 g/mol
LogP2.95
Rot. Bonds7

About 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile

4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile (PubChem CID 164920371) has the molecular formula C24H26ClFN8O2 and a molecular weight of 512.98 g/mol. Its IUPAC name is 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile.

Molecular Properties

Compound Name4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile
PubChem CID164920371
Molecular FormulaC24H26ClFN8O2
Molecular Weight512.98 g/mol
Exact Mass512.19
IUPAC Name4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1C)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H26ClFN8O2/c1-14-10-33(13-27)6-5-19(14)31-15(2)23(32-28)16-7-21(24-18(25)9-30-34(24)11-16)36-22(12-35)20-4-3-17(26)8-29-20/h3-4,7-9,11,14,19,22,35H,5-6,10,12,28H2,1-2H3/b31-15+,32-23+
InChIKeyAQOHJLSSCOAQSF-WQZMNTFSSA-N
XLogP2.95
TPSA137.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.98
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

Analyze 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile with MolForge

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Related Compounds

US10144734, Example 250
CID 134436316
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CID 171074967
US10144734, Example 251
CID 134434670
US10144734, Example 762
CID 134434763
US10144734, Example 426
CID 134435369
US10144734, Example 430
CID 134435436
US10144734, Example 431
CID 134435437
US10112942, Example 147
CID 134435488
US10144734, Example 753
CID 134435662
US10144734, Example 759
CID 134435727
US10144734, Example 428
CID 134436431
US10144734, Example 429
CID 134436432

Frequently Asked Questions

What is the IUPAC name of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile?
The IUPAC name of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile (CID 164920371) is 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile.
What is the SMILES notation for 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile?
The canonical SMILES for 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile is CC(=N\C1CCN(C#N)CC1C)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)cnn2c1.
What is the InChIKey of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile?
The InChIKey is AQOHJLSSCOAQSF-WQZMNTFSSA-N. The full InChI is InChI=1S/C24H26ClFN8O2/c1-14-10-33(13-27)6-5-19(14)31-15(2)23(32-28)16-7-21(24-18(25)9-30-34(24)11-16)36-22(12-35)20-4-3-17(26)8-29-20/h3-4,7-9,11,14,19,22,35H,5-6,10,12,28H2,1-2H3/b31-15+,32-23+.
What are the key properties of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile?
4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile has a molecular weight of 512.98 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]-3-methylpiperidine-1-carbonitrile is sourced from PubChem (CID 164920371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).