6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole

C22H23N3 — CID 143135789

IUPAC6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole
SMILESC=C/C=C(\C=C/C)C1=NNC(=C)C(c2cc3ccc(CC)cc3[nH]2)=C1
InChIInChI=1S/C22H23N3/c1-5-8-17(9-6-2)21-14-19(15(4)24-25-21)22-13-18-11-10-16(7-3)12-20(18)23-22/h5-6,8-14,23-24H,1,4,7H2,2-3H3/b9-6-,17-8+
InChIKeyIUCZZEKRNXBYOG-CWQCYKQBSA-N
MW329.45 g/mol
LogP5.28
Rot. Bonds5

About 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole

6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole (PubChem CID 143135789) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole.

Molecular Properties

Compound Name6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole
PubChem CID143135789
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole
SMILESC=C/C=C(\C=C/C)C1=NNC(=C)C(c2cc3ccc(CC)cc3[nH]2)=C1
InChIInChI=1S/C22H23N3/c1-5-8-17(9-6-2)21-14-19(15(4)24-25-21)22-13-18-11-10-16(7-3)12-20(18)23-22/h5-6,8-14,23-24H,1,4,7H2,2-3H3/b9-6-,17-8+
InChIKeyIUCZZEKRNXBYOG-CWQCYKQBSA-N
XLogP5.28
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[6-[methyl(propyl)amino]-1H-indol-2-yl]phosphol-2-one
CID 143135818
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
ethane;6-ethyl-2-[(2E,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-1H-benzimidazole
CID 144729943
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 174148997
2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole
CID 155245671
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
ethyl 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrazole-5-carboxylate
CID 143301397
4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
CID 144664691
(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine
CID 118425061
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
CID 167223078
1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
CID 144912903
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole?
The IUPAC name of 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole (CID 143135789) is 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole.
What is the SMILES notation for 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole?
The canonical SMILES for 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole is C=C/C=C(\C=C/C)C1=NNC(=C)C(c2cc3ccc(CC)cc3[nH]2)=C1.
What is the InChIKey of 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole?
The InChIKey is IUCZZEKRNXBYOG-CWQCYKQBSA-N. The full InChI is InChI=1S/C22H23N3/c1-5-8-17(9-6-2)21-14-19(15(4)24-25-21)22-13-18-11-10-16(7-3)12-20(18)23-22/h5-6,8-14,23-24H,1,4,7H2,2-3H3/b9-6-,17-8+.
What are the key properties of 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole?
6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole has a molecular weight of 329.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-1H-indole is sourced from PubChem (CID 143135789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).