4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile

C22H19ClFN5O — CID 133296334

IUPAC4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCCC(Nc3cnn(-c4ccccc4)c(=O)c3Cl)C2)c(F)c1
InChIInChI=1S/C22H19ClFN5O/c23-21-19(13-26-29(22(21)30)17-6-2-1-3-7-17)27-16-5-4-10-28(14-16)20-9-8-15(12-25)11-18(20)24/h1-3,6-9,11,13,16,27H,4-5,10,14H2
InChIKeyXGNQLSVXCGMVJX-UHFFFAOYSA-N
MW423.88 g/mol
LogP3.98
Rot. Bonds4

About 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile

4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile (PubChem CID 133296334) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
PubChem CID133296334
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC Name4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCCC(Nc3cnn(-c4ccccc4)c(=O)c3Cl)C2)c(F)c1
InChIInChI=1S/C22H19ClFN5O/c23-21-19(13-26-29(22(21)30)17-6-2-1-3-7-17)27-16-5-4-10-28(14-16)20-9-8-15(12-25)11-18(20)24/h1-3,6-9,11,13,16,27H,4-5,10,14H2
InChIKeyXGNQLSVXCGMVJX-UHFFFAOYSA-N
XLogP3.98
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile with MolForge

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Related Compounds

4-chloro-5-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133411898
3-fluoro-4-[3-(pyrazin-2-ylamino)piperidin-1-yl]benzonitrile
CID 133296356
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
CID 133411831
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
4-[[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]amino]-N-cyclopropyl-3-nitrobenzamide
CID 133296339
4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
CID 133296397
4-[3-[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
CID 133296348
methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
CID 133275627
1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618855
3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410
N-[(3S)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 95239326

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile?
The IUPAC name of 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile (CID 133296334) is 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile is N#Cc1ccc(N2CCCC(Nc3cnn(-c4ccccc4)c(=O)c3Cl)C2)c(F)c1.
What is the InChIKey of 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile?
The InChIKey is XGNQLSVXCGMVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c23-21-19(13-26-29(22(21)30)17-6-2-1-3-7-17)27-16-5-4-10-28(14-16)20-9-8-15(12-25)11-18(20)24/h1-3,6-9,11,13,16,27H,4-5,10,14H2.
What are the key properties of 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile?
4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile has a molecular weight of 423.88 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 133296334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).