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

C24H23N5O3 — CID 56683623

IUPAC3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(OC)c4)c(C)c23)c1
InChIInChI=1S/C24H23N5O3/c1-14-8-9-17(24(31)25-3)11-20(14)28-23-21-15(2)19(12-29(21)27-13-26-23)22(30)16-6-5-7-18(10-16)32-4/h5-13H,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyTXPVTGLOMUSWOU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.69
Rot. Bonds6

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

3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide (PubChem CID 56683623) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
PubChem CID56683623
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(OC)c4)c(C)c23)c1
InChIInChI=1S/C24H23N5O3/c1-14-8-9-17(24(31)25-3)11-20(14)28-23-21-15(2)19(12-29(21)27-13-26-23)22(30)16-6-5-7-18(10-16)32-4/h5-13H,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyTXPVTGLOMUSWOU-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

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Related Compounds

3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
CID 10048045
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(4-phenylmethoxyphenyl)urea
CID 16739855
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-ethyl-4-methylbenzamide
CID 10070331
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N,4-dimethylbenzamide
CID 10431035
Ethyl 5-ethyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-a][1,2,4]triazine-6-carboxylate
CID 23646539
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide
CID 56659737
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-(2-methoxyethyl)-4-methylbenzamide
CID 56663207
N,4-dimethyl-3-[[5-methyl-6-(2-methylbenzoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 56663285
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide (CID 56683623) is 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[[6-(3-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)c4cccc(OC)c4)c(C)c23)c1.
What is the InChIKey of 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
The InChIKey is TXPVTGLOMUSWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-8-9-17(24(31)25-3)11-20(14)28-23-21-15(2)19(12-29(21)27-13-26-23)22(30)16-6-5-7-18(10-16)32-4/h5-13H,1-4H3,(H,25,31)(H,26,27,28).
What are the key properties of 3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide?
3-[[6-(3-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-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 56683623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).