4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C26H28N6O2 — CID 46938612

IUPAC4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1
InChIInChI=1S/C26H28N6O2/c1-5-27-25(33)20-12-11-16(2)22(13-20)31-24-23-17(3)21(14-32(23)29-15-28-24)26(34)30-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,27,33)(H,30,34)(H,28,29,31)/t18-/m0/s1
InChIKeyJKGLOQMGRYHQGG-SFHVURJKSA-N
MW456.55 g/mol
LogP4.33
Rot. Bonds7

About 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 46938612) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID46938612
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1
InChIInChI=1S/C26H28N6O2/c1-5-27-25(33)20-12-11-16(2)22(13-20)31-24-23-17(3)21(14-32(23)29-15-28-24)26(34)30-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,27,33)(H,30,34)(H,28,29,31)/t18-/m0/s1
InChIKeyJKGLOQMGRYHQGG-SFHVURJKSA-N
XLogP4.33
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

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Related Compounds

Bms-582949
CID 10409068
Gsk 343
CID 71268957
Unc1999
CID 72551585
5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24764438
Syk-IN-1
CID 72202597
N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
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CID 155925936
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002975
3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
CID 10048045
4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
CID 10276213

Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 46938612) is 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1.
What is the InChIKey of 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is JKGLOQMGRYHQGG-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-5-27-25(33)20-12-11-16(2)22(13-20)31-24-23-17(3)21(14-32(23)29-15-28-24)26(34)30-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,27,33)(H,30,34)(H,28,29,31)/t18-/m0/s1.
What are the key properties of 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 46938612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).