N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide

C18H18ClF4N5O — CID 118108251

IUPACN'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide
SMILESO=C(CC(F)(F)F)NNc1nncc(N2CCC(c3ccccc3F)CC2)c1Cl
InChIInChI=1S/C18H18ClF4N5O/c19-16-14(10-24-26-17(16)27-25-15(29)9-18(21,22)23)28-7-5-11(6-8-28)12-3-1-2-4-13(12)20/h1-4,10-11H,5-9H2,(H,25,29)(H,26,27)
InChIKeyXZEGTUYNDVLYOW-UHFFFAOYSA-N
MW431.82 g/mol
LogP4.05
Rot. Bonds5

About N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide

N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide (PubChem CID 118108251) has the molecular formula C18H18ClF4N5O and a molecular weight of 431.82 g/mol. Its IUPAC name is N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide.

Molecular Properties

Compound NameN'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide
PubChem CID118108251
Molecular FormulaC18H18ClF4N5O
Molecular Weight431.82 g/mol
Exact Mass431.11
IUPAC NameN'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide
SMILESO=C(CC(F)(F)F)NNc1nncc(N2CCC(c3ccccc3F)CC2)c1Cl
InChIInChI=1S/C18H18ClF4N5O/c19-16-14(10-24-26-17(16)27-25-15(29)9-18(21,22)23)28-7-5-11(6-8-28)12-3-1-2-4-13(12)20/h1-4,10-11H,5-9H2,(H,25,29)(H,26,27)
InChIKeyXZEGTUYNDVLYOW-UHFFFAOYSA-N
XLogP4.05
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N'-[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]acetohydrazide
CID 118108239
[4-chloro-5-(4-pyridin-2-ylpiperidin-1-yl)pyridazin-3-yl]hydrazine
CID 118108081
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
[4-chloro-5-[4-(3,5-dichlorophenyl)piperidin-1-yl]pyridazin-3-yl]hydrazine
CID 118108087
tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
CID 156798736
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
tert-butyl 3-[[4-(2-fluorophenyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 21187676
3,3,3-trifluoro-1-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]propan-1-one
CID 121192496
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate
CID 57444915

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide?
The IUPAC name of N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide (CID 118108251) is N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide.
What is the SMILES notation for N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide?
The canonical SMILES for N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide is O=C(CC(F)(F)F)NNc1nncc(N2CCC(c3ccccc3F)CC2)c1Cl.
What is the InChIKey of N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide?
The InChIKey is XZEGTUYNDVLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF4N5O/c19-16-14(10-24-26-17(16)27-25-15(29)9-18(21,22)23)28-7-5-11(6-8-28)12-3-1-2-4-13(12)20/h1-4,10-11H,5-9H2,(H,25,29)(H,26,27).
What are the key properties of N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide?
N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide has a molecular weight of 431.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-5-[4-(2-fluorophenyl)piperidin-1-yl]pyridazin-3-yl]-3,3,3-trifluoropropanehydrazide is sourced from PubChem (CID 118108251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).