(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine

C17H22FN5O — CID 142879975

IUPAC(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine
SMILESCCCC(/C=C(\N)OC)=C(/N)Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C17H22FN5O/c1-3-5-12(10-16(20)24-2)13(19)11-23-9-8-21-17(23)14-6-4-7-15(18)22-14/h4,6-10H,3,5,11,19-20H2,1-2H3/b13-12-,16-10+
InChIKeyODLXANYFBQWDDS-UNUWOKCVSA-N
MW331.40 g/mol
LogP2.54
Rot. Bonds7

About (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine

(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine (PubChem CID 142879975) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine
PubChem CID142879975
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine
SMILESCCCC(/C=C(\N)OC)=C(/N)Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C17H22FN5O/c1-3-5-12(10-16(20)24-2)13(19)11-23-9-8-21-17(23)14-6-4-7-15(18)22-14/h4,6-10H,3,5,11,19-20H2,1-2H3/b13-12-,16-10+
InChIKeyODLXANYFBQWDDS-UNUWOKCVSA-N
XLogP2.54
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
CID 58748668
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide
CID 22379986
6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
CID 10451188
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propylimidazo[1,2-c]pyrimidine
CID 11245036
ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
CID 22335093
7-[2-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]ethyl]-1-methyl-8-propylimidazo[1,5-c]pyrimidine
CID 142683030
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542840
6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
CID 58748663
5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 22335063
2-[1-[1-(4-bromo-5-methyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]-6-fluoropyridine
CID 22181650

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine (CID 142879975) is (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine is CCCC(/C=C(\N)OC)=C(/N)Cn1ccnc1-c1cccc(F)n1.
What is the InChIKey of (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine?
The InChIKey is ODLXANYFBQWDDS-UNUWOKCVSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-3-5-12(10-16(20)24-2)13(19)11-23-9-8-21-17(23)14-6-4-7-15(18)22-14/h4,6-10H,3,5,11,19-20H2,1-2H3/b13-12-,16-10+.
What are the key properties of (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine?
(1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine has a molecular weight of 331.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]-1-methoxy-3-propylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 142879975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).