tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate

C19H25N3O4S — CID 11632543

IUPACtert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1
InChIInChI=1S/C19H25N3O4S/c1-10-12-13(20)15(17(23)26-19(3,4)5)27-16(12)21-11(2)14(10)25-18(24)22-8-6-7-9-22/h6-9,20H2,1-5H3
InChIKeyIDMKXVVUPHNIEW-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate

tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 11632543) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID11632543
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Nametert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1
InChIInChI=1S/C19H25N3O4S/c1-10-12-13(20)15(17(23)26-19(3,4)5)27-16(12)21-11(2)14(10)25-18(24)22-8-6-7-9-22/h6-9,20H2,1-5H3
InChIKeyIDMKXVVUPHNIEW-UHFFFAOYSA-N
XLogP4.05
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-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 tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate (CID 11632543) is tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate is Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1.
What is the InChIKey of tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is IDMKXVVUPHNIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-10-12-13(20)15(17(23)26-19(3,4)5)27-16(12)21-11(2)14(10)25-18(24)22-8-6-7-9-22/h6-9,20H2,1-5H3.
What are the key properties of tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate?
tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4,6-dimethyl-5-(pyrrolidine-1-carbonyloxy)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 11632543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).