4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H24F2N8O — CID 164920615

IUPAC4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC2c3ncccc3CC2(F)F)c2c(C#N)cnn2c1
InChIInChI=1S/C24H24F2N8O/c1-14(32-18-4-7-29-8-5-18)20(33-28)16-9-19(22-17(11-27)12-31-34(22)13-16)35-23-21-15(3-2-6-30-21)10-24(23,25)26/h2-3,6,9,12-13,18,23,29H,4-5,7-8,10,28H2,1H3/b32-14+,33-20+
InChIKeyYXHUTKSYGVRHQH-HPKSAAKKSA-N
MW478.51 g/mol
LogP2.79
Rot. Bonds5

About 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920615) has the molecular formula C24H24F2N8O and a molecular weight of 478.51 g/mol. Its IUPAC name is 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920615
Molecular FormulaC24H24F2N8O
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC2c3ncccc3CC2(F)F)c2c(C#N)cnn2c1
InChIInChI=1S/C24H24F2N8O/c1-14(32-18-4-7-29-8-5-18)20(33-28)16-9-19(22-17(11-27)12-31-34(22)13-16)35-23-21-15(3-2-6-30-21)10-24(23,25)26/h2-3,6,9,12-13,18,23,29H,4-5,7-8,10,28H2,1H3/b32-14+,33-20+
InChIKeyYXHUTKSYGVRHQH-HPKSAAKKSA-N
XLogP2.79
TPSA125.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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-piperidin-4-yliminopropanehydrazonoyl)-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921064
4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267507
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-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267645
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-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920665
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921348
2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
CID 164920337
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920615) is 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCNCC1)/C(=N\N)c1cc(OC2c3ncccc3CC2(F)F)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YXHUTKSYGVRHQH-HPKSAAKKSA-N. The full InChI is InChI=1S/C24H24F2N8O/c1-14(32-18-4-7-29-8-5-18)20(33-28)16-9-19(22-17(11-27)12-31-34(22)13-16)35-23-21-15(3-2-6-30-21)10-24(23,25)26/h2-3,6,9,12-13,18,23,29H,4-5,7-8,10,28H2,1H3/b32-14+,33-20+.
What are the key properties of 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 478.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).