2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol

C18H19F2N7O2 — CID 162722753

IUPAC2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol
SMILESN/C(=C\N(N)C(CO)c1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(N)nc1
InChIInChI=1S/C18H19F2N7O2/c19-16(20)18-26-25-17(29-18)11-3-1-10(2-4-11)14(9-28)27(23)8-13(21)12-5-6-15(22)24-7-12/h1-8,14,16,28H,9,21,23H2,(H2,22,24)/b13-8-
InChIKeyMALCJFKUZLBEIF-JYRVWZFOSA-N
MW403.39 g/mol
LogP1.82
Rot. Bonds7

About 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol

2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol (PubChem CID 162722753) has the molecular formula C18H19F2N7O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol
PubChem CID162722753
Molecular FormulaC18H19F2N7O2
Molecular Weight403.39 g/mol
Exact Mass403.16
IUPAC Name2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol
SMILESN/C(=C\N(N)C(CO)c1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(N)nc1
InChIInChI=1S/C18H19F2N7O2/c19-16(20)18-26-25-17(29-18)11-3-1-10(2-4-11)14(9-28)27(23)8-13(21)12-5-6-15(22)24-7-12/h1-8,14,16,28H,9,21,23H2,(H2,22,24)/b13-8-
InChIKeyMALCJFKUZLBEIF-JYRVWZFOSA-N
XLogP1.82
TPSA153.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine
CID 162722536
(Z)-2-[amino-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]amino]-1-[2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]ethenamine
CID 162442942
5-[1-[dideuterio-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722864
5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine
CID 162722443
3-amino-N'-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-4-hydroxybenzenecarboximidamide
CID 162722634
5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722833
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
phenyl N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylcarbamate
CID 140894046
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
CID 162722400
CID 162722400

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
The IUPAC name of 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol (CID 162722753) is 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
The canonical SMILES for 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol is N/C(=C\N(N)C(CO)c1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(N)nc1.
What is the InChIKey of 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
The InChIKey is MALCJFKUZLBEIF-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H19F2N7O2/c19-16(20)18-26-25-17(29-18)11-3-1-10(2-4-11)14(9-28)27(23)8-13(21)12-5-6-15(22)24-7-12/h1-8,14,16,28H,9,21,23H2,(H2,22,24)/b13-8-.
What are the key properties of 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol has a molecular weight of 403.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-2-(6-amino-3-pyridinyl)ethenyl]amino]-2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethanol is sourced from PubChem (CID 162722753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).