2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine

C14H15N3 — CID 145073918

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine
SMILESC=C/C(=C\C=C/C)c1nc2ccccn2c1N
InChIInChI=1S/C14H15N3/c1-3-5-8-11(4-2)13-14(15)17-10-7-6-9-12(17)16-13/h3-10H,2,15H2,1H3/b5-3-,11-8+
InChIKeyBIIIRKJKAJIFIA-NJHUYJSNSA-N
MW225.29 g/mol
LogP3.06
Rot. Bonds3

About 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 145073918) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID145073918
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine
SMILESC=C/C(=C\C=C/C)c1nc2ccccn2c1N
InChIInChI=1S/C14H15N3/c1-3-5-8-11(4-2)13-14(15)17-10-7-6-9-12(17)16-13/h3-10H,2,15H2,1H3/b5-3-,11-8+
InChIKeyBIIIRKJKAJIFIA-NJHUYJSNSA-N
XLogP3.06
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
2-ethylimidazo[1,2-a]pyridin-3-amine
CID 63617913
N-(3-aminoimidazo[1,2-a]pyridin-2-yl)acetamide
CID 83773502
(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
CID 142874758
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63619289
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 137214884
2-(3-bromophenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5,6-diphenylpyrazine
CID 171812706
2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 154583974
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol
CID 89130139
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine (CID 145073918) is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine is C=C/C(=C\C=C/C)c1nc2ccccn2c1N.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BIIIRKJKAJIFIA-NJHUYJSNSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-5-8-11(4-2)13-14(15)17-10-7-6-9-12(17)16-13/h3-10H,2,15H2,1H3/b5-3-,11-8+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine?
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 225.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 145073918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).