[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C15H19N3O2S — CID 2214939

IUPAC[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCc1cc(C)nc2sc(C(=O)N3CCCC3)c(N)c12
InChIInChI=1S/C15H19N3O2S/c1-9-7-10(8-20-2)11-12(16)13(21-14(11)17-9)15(19)18-5-3-4-6-18/h7H,3-6,8,16H2,1-2H3
InChIKeyAJRDQUDHXWLFIE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.57
Rot. Bonds3

About [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2214939) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID2214939
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOCc1cc(C)nc2sc(C(=O)N3CCCC3)c(N)c12
InChIInChI=1S/C15H19N3O2S/c1-9-7-10(8-20-2)11-12(16)13(21-14(11)17-9)15(19)18-5-3-4-6-18/h7H,3-6,8,16H2,1-2H3
InChIKeyAJRDQUDHXWLFIE-UHFFFAOYSA-N
XLogP2.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 2214939) is [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone is COCc1cc(C)nc2sc(C(=O)N3CCCC3)c(N)c12.
What is the InChIKey of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AJRDQUDHXWLFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-10(8-20-2)11-12(16)13(21-14(11)17-9)15(19)18-5-3-4-6-18/h7H,3-6,8,16H2,1-2H3.
What are the key properties of [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 305.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2214939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).