N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide

C25H28N6O4 — CID 10344915

IUPACN-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1
InChIInChI=1S/C25H28N6O4/c1-7-21(32)27-17-10-8-16(9-11-17)24-29-25(22-14(2)26-15(3)31(22)30-24)28-18-12-19(33-4)23(35-6)20(13-18)34-5/h8-13H,7H2,1-6H3,(H,27,32)(H,28,29,30)
InChIKeyPQUXZKMOSXOPCR-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.53
Rot. Bonds8

About N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide

N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide (PubChem CID 10344915) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide
PubChem CID10344915
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC NameN-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1
InChIInChI=1S/C25H28N6O4/c1-7-21(32)27-17-10-8-16(9-11-17)24-29-25(22-14(2)26-15(3)31(22)30-24)28-18-12-19(33-4)23(35-6)20(13-18)34-5/h8-13H,7H2,1-6H3,(H,27,32)(H,28,29,30)
InChIKeyPQUXZKMOSXOPCR-UHFFFAOYSA-N
XLogP4.53
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 58677715
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
2-(3-chloro-4-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 22329676
N-(3,4-dimethylphenyl)-5,7-dimethyl-2-(4-methylphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 20825639
7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 12052746
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
5-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575555
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 20863546
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127

Frequently Asked Questions

What is the IUPAC name of N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide?
The IUPAC name of N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide (CID 10344915) is N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cc1.
What is the InChIKey of N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide?
The InChIKey is PQUXZKMOSXOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-7-21(32)27-17-10-8-16(9-11-17)24-29-25(22-14(2)26-15(3)31(22)30-24)28-18-12-19(33-4)23(35-6)20(13-18)34-5/h8-13H,7H2,1-6H3,(H,27,32)(H,28,29,30).
What are the key properties of N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide?
N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide has a molecular weight of 476.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5,7-dimethyl-4-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]propanamide is sourced from PubChem (CID 10344915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).