[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C23H19N7O4 — CID 55484811

IUPAC[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(-c3ccco3)nc3onc(C)c23)n1
InChIInChI=1S/C23H19N7O4/c1-12-6-3-4-7-15(12)26-23-28-18(27-22(24)29-23)11-33-21(31)14-10-16(17-8-5-9-32-17)25-20-19(14)13(2)30-34-20/h3-10H,11H2,1-2H3,(H3,24,26,27,28,29)
InChIKeyIVLRONLWQWWQKE-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.97
Rot. Bonds6

About [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55484811) has the molecular formula C23H19N7O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55484811
Molecular FormulaC23H19N7O4
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(-c3ccco3)nc3onc(C)c23)n1
InChIInChI=1S/C23H19N7O4/c1-12-6-3-4-7-15(12)26-23-28-18(27-22(24)29-23)11-33-21(31)14-10-16(17-8-5-9-32-17)25-20-19(14)13(2)30-34-20/h3-10H,11H2,1-2H3,(H3,24,26,27,28,29)
InChIKeyIVLRONLWQWWQKE-UHFFFAOYSA-N
XLogP3.97
TPSA155.08 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 55484811) is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(-c3ccco3)nc3onc(C)c23)n1.
What is the InChIKey of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IVLRONLWQWWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O4/c1-12-6-3-4-7-15(12)26-23-28-18(27-22(24)29-23)11-33-21(31)14-10-16(17-8-5-9-32-17)25-20-19(14)13(2)30-34-20/h3-10H,11H2,1-2H3,(H3,24,26,27,28,29).
What are the key properties of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 457.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).