4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H27FN8O — CID 169267507

IUPAC4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc3cc(F)ccc23)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27FN8O/c1-16(34-22-5-7-31-8-6-22)26(35-30)19-10-25(27-20(11-29)13-33-36(27)15-19)37-17(2)24-14-32-12-18-9-21(28)3-4-23(18)24/h3-4,9-10,12-15,17,22,31H,5-8,30H2,1-2H3/b34-16+,35-26+
InChIKeyHGPYAGGZMGNFTR-HUPATNISSA-N
MW498.57 g/mol
LogP3.91
Rot. Bonds6

About 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267507) has the molecular formula C27H27FN8O and a molecular weight of 498.57 g/mol. Its IUPAC name is 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267507
Molecular FormulaC27H27FN8O
Molecular Weight498.57 g/mol
Exact Mass498.23
IUPAC Name4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc3cc(F)ccc23)c2c(C#N)cnn2c1
InChIInChI=1S/C27H27FN8O/c1-16(34-22-5-7-31-8-6-22)26(35-30)19-10-25(27-20(11-29)13-33-36(27)15-19)37-17(2)24-14-32-12-18-9-21(28)3-4-23(18)24/h3-4,9-10,12-15,17,22,31H,5-8,30H2,1-2H3/b34-16+,35-26+
InChIKeyHGPYAGGZMGNFTR-HUPATNISSA-N
XLogP3.91
TPSA125.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 53.91
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

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
4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 175872816
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
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
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
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-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921348
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
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
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920665
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267507) is 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc3cc(F)ccc23)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HGPYAGGZMGNFTR-HUPATNISSA-N. The full InChI is InChI=1S/C27H27FN8O/c1-16(34-22-5-7-31-8-6-22)26(35-30)19-10-25(27-20(11-29)13-33-36(27)15-19)37-17(2)24-14-32-12-18-9-21(28)3-4-23(18)24/h3-4,9-10,12-15,17,22,31H,5-8,30H2,1-2H3/b34-16+,35-26+.
What are the key properties of 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 498.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).