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

C95H91N21O8 — CID 160528935

IUPAC3-[(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
SMILESCCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(C)n4)c(C)c23)c1.CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1
InChIInChI=1S/C25H25N5O2.C24H23N5O2.C23H22N6O2.C23H21N5O2/c1-4-12-26-25(32)19-11-10-16(2)21(13-19)29-24-22-17(3)20(14-30(22)28-15-27-24)23(31)18-8-6-5-7-9-18;1-4-25-24(31)18-11-10-15(2)20(12-18)28-23-21-16(3)19(13-29(21)27-14-26-23)22(30)17-8-6-5-7-9-17;1-13-8-9-16(23(31)24-4)10-19(13)28-22-20-15(3)17(11-29(20)26-12-25-22)21(30)18-7-5-6-14(2)27-18;1-14-9-10-17(23(30)24-3)11-19(14)27-22-20-15(2)18(12-28(20)26-13-25-22)21(29)16-7-5-4-6-8-16/h5-11,13-15H,4,12H2,1-3H3,(H,26,32)(H,27,28,29);5-14H,4H2,1-3H3,(H,25,31)(H,26,27,28);5-12H,1-4H3,(H,24,31)(H,25,26,28);4-13H,1-3H3,(H,24,30)(H,25,26,27)
InChIKeyQVGUTDRPVYTGMT-UHFFFAOYSA-N
MW1654.91 g/mol
LogP15.60
Rot. Bonds23

About 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

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 (PubChem CID 160528935) has the molecular formula C95H91N21O8 and a molecular weight of 1654.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID160528935
Molecular FormulaC95H91N21O8
Molecular Weight1654.91 g/mol
Exact Mass1653.74
IUPAC Name3-[(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
SMILESCCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(C)n4)c(C)c23)c1.CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1
InChIInChI=1S/C25H25N5O2.C24H23N5O2.C23H22N6O2.C23H21N5O2/c1-4-12-26-25(32)19-11-10-16(2)21(13-19)29-24-22-17(3)20(14-30(22)28-15-27-24)23(31)18-8-6-5-7-9-18;1-4-25-24(31)18-11-10-15(2)20(12-18)28-23-21-16(3)19(13-29(21)27-14-26-23)22(30)17-8-6-5-7-9-17;1-13-8-9-16(23(31)24-4)10-19(13)28-22-20-15(3)17(11-29(20)26-12-25-22)21(30)18-7-5-6-14(2)27-18;1-14-9-10-17(23(30)24-3)11-19(14)27-22-20-15(2)18(12-28(20)26-13-25-22)21(29)16-7-5-4-6-8-16/h5-11,13-15H,4,12H2,1-3H3,(H,26,32)(H,27,28,29);5-14H,4H2,1-3H3,(H,25,31)(H,26,27,28);5-12H,1-4H3,(H,24,31)(H,25,26,28);4-13H,1-3H3,(H,24,30)(H,25,26,27)
InChIKeyQVGUTDRPVYTGMT-UHFFFAOYSA-N
XLogP15.60
TPSA366.45 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001654.91
LogP ≤ 515.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(C)n4)c(C)c23)c1.CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1.
What is the InChIKey of 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?
The InChIKey is QVGUTDRPVYTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C24H23N5O2.C23H22N6O2.C23H21N5O2/c1-4-12-26-25(32)19-11-10-16(2)21(13-19)29-24-22-17(3)20(14-30(22)28-15-27-24)23(31)18-8-6-5-7-9-18;1-4-25-24(31)18-11-10-15(2)20(12-18)28-23-21-16(3)19(13-29(21)27-14-26-23)22(30)17-8-6-5-7-9-17;1-13-8-9-16(23(31)24-4)10-19(13)28-22-20-15(3)17(11-29(20)26-12-25-22)21(30)18-7-5-6-14(2)27-18;1-14-9-10-17(23(30)24-3)11-19(14)27-22-20-15(2)18(12-28(20)26-13-25-22)21(29)16-7-5-4-6-8-16/h5-11,13-15H,4,12H2,1-3H3,(H,26,32)(H,27,28,29);5-14H,4H2,1-3H3,(H,25,31)(H,26,27,28);5-12H,1-4H3,(H,24,31)(H,25,26,28);4-13H,1-3H3,(H,24,30)(H,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 1654.91 g/mol, XLogP of 15.60, 23 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160528935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).