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

C26H32N6O4 — CID 142948602

IUPAC2,2-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
SMILESCOc1cc(Nc2ncc3c(C)nc(C4=CC=CCC4NC(=O)C(C)(C)C)n3n2)cc(OC)c1OC
InChIInChI=1S/C26H32N6O4/c1-15-19-14-27-25(29-16-12-20(34-5)22(36-7)21(13-16)35-6)31-32(19)23(28-15)17-10-8-9-11-18(17)30-24(33)26(2,3)4/h8-10,12-14,18H,11H2,1-7H3,(H,29,31)(H,30,33)
InChIKeyZOGMEKSBQUNQDO-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.08
Rot. Bonds7

About 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

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 (PubChem CID 142948602) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID142948602
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name2,2-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
SMILESCOc1cc(Nc2ncc3c(C)nc(C4=CC=CCC4NC(=O)C(C)(C)C)n3n2)cc(OC)c1OC
InChIInChI=1S/C26H32N6O4/c1-15-19-14-27-25(29-16-12-20(34-5)22(36-7)21(13-16)35-6)31-32(19)23(28-15)17-10-8-9-11-18(17)30-24(33)26(2,3)4/h8-10,12-14,18H,11H2,1-7H3,(H,29,31)(H,30,33)
InChIKeyZOGMEKSBQUNQDO-UHFFFAOYSA-N
XLogP4.08
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11213555
5-methyl-7-(2-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11293491
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
(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
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
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-(3,5-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302897
5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
7-cyclohexyl-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302158
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007
N-(1-methylpiperidin-4-yl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 11191555

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(Nc2ncc3c(C)nc(C4=CC=CCC4NC(=O)C(C)(C)C)n3n2)cc(OC)c1OC.
What is the InChIKey of 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?
The InChIKey is ZOGMEKSBQUNQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-15-19-14-27-25(29-16-12-20(34-5)22(36-7)21(13-16)35-6)31-32(19)23(28-15)17-10-8-9-11-18(17)30-24(33)26(2,3)4/h8-10,12-14,18H,11H2,1-7H3,(H,29,31)(H,30,33).
What are the key properties of 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?
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 has a molecular weight of 492.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142948602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).