(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine

C18H26N4 — CID 143289376

IUPAC(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine
SMILESC/C=C(\C=C/Cn1c(CC)nc2c(C)cc(C)nc21)CCN
InChIInChI=1S/C18H26N4/c1-5-15(9-10-19)8-7-11-22-16(6-2)21-17-13(3)12-14(4)20-18(17)22/h5,7-8,12H,6,9-11,19H2,1-4H3/b8-7-,15-5+
InChIKeyUKRSIQZLGPDPHA-PXBUKJFOSA-N
MW298.43 g/mol
LogP3.46
Rot. Bonds6

About (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine

(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine (PubChem CID 143289376) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine
PubChem CID143289376
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine
SMILESC/C=C(\C=C/Cn1c(CC)nc2c(C)cc(C)nc21)CCN
InChIInChI=1S/C18H26N4/c1-5-15(9-10-19)8-7-11-22-16(6-2)21-17-13(3)12-14(4)20-18(17)22/h5,7-8,12H,6,9-11,19H2,1-4H3/b8-7-,15-5+
InChIKeyUKRSIQZLGPDPHA-PXBUKJFOSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 150784764
N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine
CID 86615033
[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride
CID 69007934
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 142021136
3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138744418
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
methyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-fluoroprop-2-enoate
CID 69005640
diethyl 2-[1-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]ethyl]propanedioate
CID 10647248
(NZ)-N-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydroxylamine
CID 127036718
ethyl (E)-2-bromo-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-phenylprop-2-enoate
CID 19425826
ethyl 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-(4-methoxyphenyl)propanoate
CID 10504594

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine?
The IUPAC name of (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine (CID 143289376) is (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine.
What is the SMILES notation for (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine?
The canonical SMILES for (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine is C/C=C(\C=C/Cn1c(CC)nc2c(C)cc(C)nc21)CCN.
What is the InChIKey of (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine?
The InChIKey is UKRSIQZLGPDPHA-PXBUKJFOSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-15(9-10-19)8-7-11-22-16(6-2)21-17-13(3)12-14(4)20-18(17)22/h5,7-8,12H,6,9-11,19H2,1-4H3/b8-7-,15-5+.
What are the key properties of (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine?
(Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine has a molecular weight of 298.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-6-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)-3-ethylidenehex-4-en-1-amine is sourced from PubChem (CID 143289376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).