1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride

C17H15ClFN5O2 — CID 67447026

IUPAC1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(-n2nc(C#N)c(OC3CCNCC3)cc2=O)cc1F
InChIInChI=1S/C17H14FN5O2.ClH/c18-14-7-12(2-1-11(14)9-19)23-17(24)8-16(15(10-20)22-23)25-13-3-5-21-6-4-13;/h1-2,7-8,13,21H,3-6H2;1H
InChIKeyOHFSZVOCSHSETF-UHFFFAOYSA-N
MW375.79 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride

1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride (PubChem CID 67447026) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
PubChem CID67447026
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC Name1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(-n2nc(C#N)c(OC3CCNCC3)cc2=O)cc1F
InChIInChI=1S/C17H14FN5O2.ClH/c18-14-7-12(2-1-11(14)9-19)23-17(24)8-16(15(10-20)22-23)25-13-3-5-21-6-4-13;/h1-2,7-8,13,21H,3-6H2;1H
InChIKeyOHFSZVOCSHSETF-UHFFFAOYSA-N
XLogP1.67
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67447366
1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67446536
1-(4-bromo-3-fluorophenyl)-4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-6-oxopyridazine-3-carbonitrile
CID 44621178
propan-2-yl 4-[3-cyano-1-(3-fluoro-4-isocyanophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate
CID 58483093
methyl 4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-cyano-3-fluorophenyl)-6-oxopyridazine-3-carboxylate
CID 44621090
1-(3-fluoro-4-isocyanophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 58483085
1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride
CID 67072615
tert-butyl 4-[3-cyano-1-(3,4-dichlorophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate
CID 44621657
2-fluoro-4-pyrrolidin-3-yloxybenzonitrile
CID 107923350
2-fluoro-4-[(3S)-pyrrolidin-3-yl]oxybenzonitrile
CID 107923342
4-[3-(3-fluoro-4-piperidin-4-yloxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 74220652
2-tert-butyl-4-[3-cyano-1-(4-nitrophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylic acid
CID 71111401

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
The IUPAC name of 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride (CID 67447026) is 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
The canonical SMILES for 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride is Cl.N#Cc1ccc(-n2nc(C#N)c(OC3CCNCC3)cc2=O)cc1F.
What is the InChIKey of 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
The InChIKey is OHFSZVOCSHSETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2.ClH/c18-14-7-12(2-1-11(14)9-19)23-17(24)8-16(15(10-20)22-23)25-13-3-5-21-6-4-13;/h1-2,7-8,13,21H,3-6H2;1H.
What are the key properties of 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride has a molecular weight of 375.79 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 67447026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).