3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine

C23H27N7O3 — CID 142846909

IUPAC3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine
SMILESCCCNC.Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnn2cc(C=O)c(C)c12
InChIInChI=1S/C19H16N6O3.C4H11N/c1-11-3-4-13(19(27)23-16-5-6-28-24-16)7-15(11)22-18-17-12(2)14(9-26)8-25(17)21-10-20-18;1-3-4-5-2/h3-10H,1-2H3,(H,20,21,22)(H,23,24,27);5H,3-4H2,1-2H3
InChIKeyLBRMFQIZPORZSG-UHFFFAOYSA-N
MW449.52 g/mol
LogP3.76
Rot. Bonds7

About 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine

3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine (PubChem CID 142846909) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine
PubChem CID142846909
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine
SMILESCCCNC.Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnn2cc(C=O)c(C)c12
InChIInChI=1S/C19H16N6O3.C4H11N/c1-11-3-4-13(19(27)23-16-5-6-28-24-16)7-15(11)22-18-17-12(2)14(9-26)8-25(17)21-10-20-18;1-3-4-5-2/h3-10H,1-2H3,(H,20,21,22)(H,23,24,27);5H,3-4H2,1-2H3
InChIKeyLBRMFQIZPORZSG-UHFFFAOYSA-N
XLogP3.76
TPSA126.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine with MolForge

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Related Compounds

[ethyl-[5-methyl-4-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl 2-formamidopropanoate
CID 89164717
[ethyl-[5-methyl-4-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl (E)-4-oxobut-2-enoate
CID 89176242
5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46939848
4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10023556
4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780436
N-ethyl-5-methyl-4-[2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46938508
ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
[[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-[5-methyl-6-(propylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl pyridine-3-carboxylate
CID 89164692
N-ethyl-5-methyl-4-[2-methyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780485
CID 59853638
CID 59853638
methyl N-[4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 24755251
N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10251577

Frequently Asked Questions

What is the IUPAC name of 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine?
The IUPAC name of 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine (CID 142846909) is 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine.
What is the SMILES notation for 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine?
The canonical SMILES for 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine is CCCNC.Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnn2cc(C=O)c(C)c12.
What is the InChIKey of 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine?
The InChIKey is LBRMFQIZPORZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3.C4H11N/c1-11-3-4-13(19(27)23-16-5-6-28-24-16)7-15(11)22-18-17-12(2)14(9-26)8-25(17)21-10-20-18;1-3-4-5-2/h3-10H,1-2H3,(H,20,21,22)(H,23,24,27);5H,3-4H2,1-2H3.
What are the key properties of 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine?
3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine has a molecular weight of 449.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-formyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;N-methylpropan-1-amine is sourced from PubChem (CID 142846909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).