3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide

C24H24N6O4 — CID 68869190

IUPAC3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4cccc(C=CC(N)=O)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C24H24N6O4/c1-14-18-13-26-24(28-17-11-19(32-2)22(34-4)20(12-17)33-3)29-30(18)23(27-14)16-7-5-6-15(10-16)8-9-21(25)31/h5-13H,1-4H3,(H2,25,31)(H,28,29)
InChIKeyYEZRSDPKEDLNGE-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.37
Rot. Bonds8

About 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide

3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide (PubChem CID 68869190) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
PubChem CID68869190
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
SMILESCOc1cc(Nc2ncc3c(C)nc(-c4cccc(C=CC(N)=O)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C24H24N6O4/c1-14-18-13-26-24(28-17-11-19(32-2)22(34-4)20(12-17)33-3)29-30(18)23(27-14)16-7-5-6-15(10-16)8-9-21(25)31/h5-13H,1-4H3,(H2,25,31)(H,28,29)
InChIKeyYEZRSDPKEDLNGE-UHFFFAOYSA-N
XLogP3.37
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
CID 58711931
7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11213555
5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11200247
7-[2-[[(E)-but-2-en-2-yl]amino]phenyl]-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 142948614
5-methyl-7-(2-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11293491
N-(3,5-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302897
2,2-dimethyl-N-[2-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexa-2,4-dien-1-yl]propanamide
CID 142948602
formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde
CID 142948620
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
4-[4-[3-(diethylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-(2,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 69067841
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
(E)-1-[4-methyl-2-(3-methylanilino)-1,3-thiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 52946930

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide?
The IUPAC name of 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide (CID 68869190) is 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide?
The canonical SMILES for 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide is COc1cc(Nc2ncc3c(C)nc(-c4cccc(C=CC(N)=O)c4)n3n2)cc(OC)c1OC.
What is the InChIKey of 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide?
The InChIKey is YEZRSDPKEDLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-14-18-13-26-24(28-17-11-19(32-2)22(34-4)20(12-17)33-3)29-30(18)23(27-14)16-7-5-6-15(10-16)8-9-21(25)31/h5-13H,1-4H3,(H2,25,31)(H,28,29).
What are the key properties of 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide?
3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide has a molecular weight of 460.49 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 68869190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).