3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide

C24H23N5O3 — CID 56663286

IUPAC3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4OC)c(C)c23)c1
InChIInChI=1S/C24H23N5O3/c1-14-9-10-16(24(31)25-3)11-19(14)28-23-21-15(2)18(12-29(21)27-13-26-23)22(30)17-7-5-6-8-20(17)32-4/h5-13H,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyJKJOBUYOPYVAEU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.69
Rot. Bonds6

About 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide

3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide (PubChem CID 56663286) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
PubChem CID56663286
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4OC)c(C)c23)c1
InChIInChI=1S/C24H23N5O3/c1-14-9-10-16(24(31)25-3)11-19(14)28-23-21-15(2)18(12-29(21)27-13-26-23)22(30)17-7-5-6-8-20(17)32-4/h5-13H,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyJKJOBUYOPYVAEU-UHFFFAOYSA-N
XLogP3.69
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide with MolForge

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Related Compounds

methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N,4-dimethylbenzamide;3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-ethyl-4-methylbenzamide;3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-propylbenzamide;N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 160528935
4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-[(1R)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10139311
5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46939848
ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
methyl 5-methyl-4-[2-methyl-5-[(Z)-N'-(methylcarbamoyl)carbamimidoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 143036177
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002351
4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10023556
N-ethyl-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methanesulfonic acid
CID 22558499
N-cyclopropyl-4-methyl-3-[(5-methyl-6-prop-2-ynoylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]benzamide
CID 58780486
N-(furan-2-ylmethyl)-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10181353
methyl N-[4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 24755251

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide (CID 56663286) is 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4OC)c(C)c23)c1.
What is the InChIKey of 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
The InChIKey is JKJOBUYOPYVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-9-10-16(24(31)25-3)11-19(14)28-23-21-15(2)18(12-29(21)27-13-26-23)22(30)17-7-5-6-8-20(17)32-4/h5-13H,1-4H3,(H,25,31)(H,26,27,28).
What are the key properties of 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide has a molecular weight of 429.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 56663286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).