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]piperidine-1-carbonitrile

C23H24ClFN8O2 — CID 164920419

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]piperidine-1-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C23H24ClFN8O2/c1-14(30-17-4-6-32(13-26)7-5-17)22(31-27)15-8-20(23-18(24)10-29-33(23)11-15)35-21(12-34)19-3-2-16(25)9-28-19/h2-3,8-11,17,21,34H,4-7,12,27H2,1H3/b30-14+,31-22+
InChIKeySLWZHANPCSTRFT-WPOJWVQTSA-N
MW498.95 g/mol
LogP2.70
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]piperidine-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]piperidine-1-carbonitrile (PubChem CID 164920419) has the molecular formula C23H24ClFN8O2 and a molecular weight of 498.95 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]piperidine-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]piperidine-1-carbonitrile
PubChem CID164920419
Molecular FormulaC23H24ClFN8O2
Molecular Weight498.95 g/mol
Exact Mass498.17
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]piperidine-1-carbonitrile
SMILESCC(=N\C1CCN(C#N)CC1)/C(=N\N)c1cc(OC(CO)c2ccc(F)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C23H24ClFN8O2/c1-14(30-17-4-6-32(13-26)7-5-17)22(31-27)15-8-20(23-18(24)10-29-33(23)11-15)35-21(12-34)19-3-2-16(25)9-28-19/h2-3,8-11,17,21,34H,4-7,12,27H2,1H3/b30-14+,31-22+
InChIKeySLWZHANPCSTRFT-WPOJWVQTSA-N
XLogP2.70
TPSA137.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 52.70
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]piperidine-1-carbonitrile with MolForge

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Related Compounds

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CID 134436316
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US10144734, Example 251
CID 134434670
US10144734, Example 762
CID 134434763
US10144734, Example 249
CID 134435193
US10144734, Example 271
CID 134435282
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

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]piperidine-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]piperidine-1-carbonitrile (CID 164920419) 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]piperidine-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]piperidine-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]piperidine-1-carbonitrile is CC(=N\C1CCN(C#N)CC1)/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]piperidine-1-carbonitrile?
The InChIKey is SLWZHANPCSTRFT-WPOJWVQTSA-N. The full InChI is InChI=1S/C23H24ClFN8O2/c1-14(30-17-4-6-32(13-26)7-5-17)22(31-27)15-8-20(23-18(24)10-29-33(23)11-15)35-21(12-34)19-3-2-16(25)9-28-19/h2-3,8-11,17,21,34H,4-7,12,27H2,1H3/b30-14+,31-22+.
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]piperidine-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]piperidine-1-carbonitrile has a molecular weight of 498.95 g/mol, XLogP of 2.70, 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]piperidine-1-carbonitrile is sourced from PubChem (CID 164920419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).