[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate

C19H25N3O5S — CID 11697157

IUPAC[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate
SMILESCc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCOCC1
InChIInChI=1S/C19H25N3O5S/c1-10-12-13(20)15(17(23)27-19(3,4)5)28-16(12)21-11(2)14(10)26-18(24)22-6-8-25-9-7-22/h6-9,20H2,1-5H3
InChIKeyVTOCOHQYZJTLED-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.28
Rot. Bonds2

About [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate

[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate (PubChem CID 11697157) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate
PubChem CID11697157
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate
SMILESCc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCOCC1
InChIInChI=1S/C19H25N3O5S/c1-10-12-13(20)15(17(23)27-19(3,4)5)28-16(12)21-11(2)14(10)26-18(24)22-6-8-25-9-7-22/h6-9,20H2,1-5H3
InChIKeyVTOCOHQYZJTLED-UHFFFAOYSA-N
XLogP3.28
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate?
The IUPAC name of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate (CID 11697157) is [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate is Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCOCC1.
What is the InChIKey of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate?
The InChIKey is VTOCOHQYZJTLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-10-12-13(20)15(17(23)27-19(3,4)5)28-16(12)21-11(2)14(10)26-18(24)22-6-8-25-9-7-22/h6-9,20H2,1-5H3.
What are the key properties of [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate?
[3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]thieno[2,3-b]pyridin-5-yl] morpholine-4-carboxylate is sourced from PubChem (CID 11697157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).