4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium

C17H17F6N2O+ — CID 123791080

IUPAC4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium
SMILESCCC=C(C=CCC1=C[N+]2(C)C(=CN=C2C(F)(F)F)C=C1)OC(F)(F)F
InChIInChI=1S/C17H17F6N2O/c1-3-5-14(26-17(21,22)23)7-4-6-12-8-9-13-10-24-15(16(18,19)20)25(13,2)11-12/h4-5,7-11H,3,6H2,1-2H3/q+1
InChIKeyACYZWFNSNPWYSC-UHFFFAOYSA-N
MW379.32 g/mol
LogP5.48
Rot. Bonds5

About 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium

4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium (PubChem CID 123791080) has the molecular formula C17H17F6N2O+ and a molecular weight of 379.32 g/mol. Its IUPAC name is 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium.

Molecular Properties

Compound Name4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium
PubChem CID123791080
Molecular FormulaC17H17F6N2O+
Molecular Weight379.32 g/mol
Exact Mass379.12
IUPAC Name4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium
SMILESCCC=C(C=CCC1=C[N+]2(C)C(=CN=C2C(F)(F)F)C=C1)OC(F)(F)F
InChIInChI=1S/C17H17F6N2O/c1-3-5-14(26-17(21,22)23)7-4-6-12-8-9-13-10-24-15(16(18,19)20)25(13,2)11-12/h4-5,7-11H,3,6H2,1-2H3/q+1
InChIKeyACYZWFNSNPWYSC-UHFFFAOYSA-N
XLogP5.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
2-(2-methoxypropan-2-yloxy)pent-2-ene
CID 90956610
(E)-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
CID 143560421
ethane;2-methylpent-1-ene;prop-1-yne;(E)-2-(trifluoromethoxy)pent-2-ene
CID 143343003
(4Z,6E)-6-prop-2-ynoxynona-1,4,6-triene
CID 130348928
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
CID 144630019
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
4,8,8-trimethylnona-3,5-diene
CID 123895816
ethane;[4-[(2Z,4E)-hepta-2,4-dien-4-yl]oxyphenyl]-methoxyborinate;rubidium(1+)
CID 145271332
2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4-[4-(trifluoromethyl)phenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040046
2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4-[4-(trifluoromethyl)phenyl]sulfanyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040066
2-methyl-4-[1-[(5Z,7E)-3-methyl-7-(trifluoromethoxy)nona-3,5,7-trien-4-yl]-1,2,4-triazol-3-yl]aniline
CID 155580650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium?
The IUPAC name of 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium (CID 123791080) is 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium.
What is the SMILES notation for 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium?
The canonical SMILES for 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium is CCC=C(C=CCC1=C[N+]2(C)C(=CN=C2C(F)(F)F)C=C1)OC(F)(F)F.
What is the InChIKey of 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium?
The InChIKey is ACYZWFNSNPWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N2O/c1-3-5-14(26-17(21,22)23)7-4-6-12-8-9-13-10-24-15(16(18,19)20)25(13,2)11-12/h4-5,7-11H,3,6H2,1-2H3/q+1.
What are the key properties of 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium?
4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium has a molecular weight of 379.32 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(trifluoromethoxy)hepta-2,4-dienyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 123791080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).