3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H15F3N4O2S — CID 47074084

IUPAC3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CC(F)(F)F)c3ccccn3)c3c(C)noc3n2)s1
InChIInChI=1S/C20H15F3N4O2S/c1-11-6-7-15(30-11)14-9-13(17-12(2)26-29-18(17)25-14)19(28)27(10-20(21,22)23)16-5-3-4-8-24-16/h3-9H,10H2,1-2H3
InChIKeyQSLVFCWGTXKNFN-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.17
Rot. Bonds4

About 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47074084) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID47074084
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CC(F)(F)F)c3ccccn3)c3c(C)noc3n2)s1
InChIInChI=1S/C20H15F3N4O2S/c1-11-6-7-15(30-11)14-9-13(17-12(2)26-29-18(17)25-14)19(28)27(10-20(21,22)23)16-5-3-4-8-24-16/h3-9H,10H2,1-2H3
InChIKeyQSLVFCWGTXKNFN-UHFFFAOYSA-N
XLogP5.17
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 47074084) is 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)N(CC(F)(F)F)c3ccccn3)c3c(C)noc3n2)s1.
What is the InChIKey of 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QSLVFCWGTXKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-11-6-7-15(30-11)14-9-13(17-12(2)26-29-18(17)25-14)19(28)27(10-20(21,22)23)16-5-3-4-8-24-16/h3-9H,10H2,1-2H3.
What are the key properties of 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47074084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).