(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine

C19H17F5N6 — CID 130453065

IUPAC(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine
SMILESNN/C(=C(\N)c1ccnc(-c2cn(CCc3cc(F)ccc3F)cn2)c1)C(F)(F)F
InChIInChI=1S/C19H17F5N6/c20-13-1-2-14(21)11(7-13)4-6-30-9-16(28-10-30)15-8-12(3-5-27-15)17(25)18(29-26)19(22,23)24/h1-3,5,7-10,29H,4,6,25-26H2/b18-17-
InChIKeyPTTMFSGUXPMYCC-ZCXUNETKSA-N
MW424.38 g/mol
LogP3.12
Rot. Bonds6

About (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine

(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine (PubChem CID 130453065) has the molecular formula C19H17F5N6 and a molecular weight of 424.38 g/mol. Its IUPAC name is (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine
PubChem CID130453065
Molecular FormulaC19H17F5N6
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC Name(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine
SMILESNN/C(=C(\N)c1ccnc(-c2cn(CCc3cc(F)ccc3F)cn2)c1)C(F)(F)F
InChIInChI=1S/C19H17F5N6/c20-13-1-2-14(21)11(7-13)4-6-30-9-16(28-10-30)15-8-12(3-5-27-15)17(25)18(29-26)19(22,23)24/h1-3,5,7-10,29H,4,6,25-26H2/b18-17-
InChIKeyPTTMFSGUXPMYCC-ZCXUNETKSA-N
XLogP3.12
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-1-[2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
CID 166968745
N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
CID 123459408
(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine
CID 145046214
2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 90407159
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407056
2-[1-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 85470886
N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
CID 138615112
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454363
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine
CID 121460663
2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290275
2-[1-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid;2-[1-[2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 159647884

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine?
The IUPAC name of (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine (CID 130453065) is (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine is NN/C(=C(\N)c1ccnc(-c2cn(CCc3cc(F)ccc3F)cn2)c1)C(F)(F)F.
What is the InChIKey of (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine?
The InChIKey is PTTMFSGUXPMYCC-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H17F5N6/c20-13-1-2-14(21)11(7-13)4-6-30-9-16(28-10-30)15-8-12(3-5-27-15)17(25)18(29-26)19(22,23)24/h1-3,5,7-10,29H,4,6,25-26H2/b18-17-.
What are the key properties of (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine?
(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine has a molecular weight of 424.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine is sourced from PubChem (CID 130453065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).