2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

C27H29N5O4 — CID 46393698

IUPAC2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
SMILESCOc1cccc(CNC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccc(C)cc4)c(C)c3c2=O)c1
InChIInChI=1S/C27H29N5O4/c1-17-8-10-20(11-9-17)13-29-26(34)24-18(2)25-27(35)32(30-16-31(25)19(24)3)15-23(33)28-14-21-6-5-7-22(12-21)36-4/h5-12,16H,13-15H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyGYEJTFKWGWMGAR-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.68
Rot. Bonds8

About 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide (PubChem CID 46393698) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
PubChem CID46393698
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
SMILESCOc1cccc(CNC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccc(C)cc4)c(C)c3c2=O)c1
InChIInChI=1S/C27H29N5O4/c1-17-8-10-20(11-9-17)13-29-26(34)24-18(2)25-27(35)32(30-16-31(25)19(24)3)15-23(33)28-14-21-6-5-7-22(12-21)36-4/h5-12,16H,13-15H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyGYEJTFKWGWMGAR-UHFFFAOYSA-N
XLogP2.68
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide with MolForge

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Related Compounds

2-[2-(3-fluoroanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 50838370
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20884907
2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20932081
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51363753
6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 53367423
2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20892059
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7666380
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 5301950
N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide (CID 46393698) is 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide is COc1cccc(CNC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccc(C)cc4)c(C)c3c2=O)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The InChIKey is GYEJTFKWGWMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-8-10-20(11-9-17)13-29-26(34)24-18(2)25-27(35)32(30-16-31(25)19(24)3)15-23(33)28-14-21-6-5-7-22(12-21)36-4/h5-12,16H,13-15H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 46393698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).