4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C20H24N6O3 — CID 10178871

IUPAC4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C
InChIInChI=1S/C20H24N6O3/c1-5-8-21-20(28)15-10-26-17(13(15)3)18(22-11-23-26)24-16-9-14(7-6-12(16)2)19(27)25-29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
InChIKeyKQWDBCYASNDFNQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.52
Rot. Bonds7

About 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 10178871) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID10178871
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C
InChIInChI=1S/C20H24N6O3/c1-5-8-21-20(28)15-10-26-17(13(15)3)18(22-11-23-26)24-16-9-14(7-6-12(16)2)19(27)25-29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
InChIKeyKQWDBCYASNDFNQ-UHFFFAOYSA-N
XLogP2.52
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bms-582949
CID 10409068
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
N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10134493
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
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
N-benzyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[1,2-a][1,2,4]triazine-6-carboxamide
CID 10138392
Ethyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[1,2-a][1,2,4]triazine-6-carboxylate
CID 16726210
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-phenylurea
CID 16739794
4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44449750
N-ethyl-4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 44449803

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 10178871) is 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C.
What is the InChIKey of 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is KQWDBCYASNDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-5-8-21-20(28)15-10-26-17(13(15)3)18(22-11-23-26)24-16-9-14(7-6-12(16)2)19(27)25-29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24).
What are the key properties of 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 10178871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).