(6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone

C19H20N2O3S — CID 50898913

IUPAC(6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)n(CC4CCOC4)c3s2)cn1
InChIInChI=1S/C19H20N2O3S/c1-12-7-15-8-16(18(22)14-3-4-17(23-2)20-9-14)25-19(15)21(12)10-13-5-6-24-11-13/h3-4,7-9,13H,5-6,10-11H2,1-2H3
InChIKeyJEVPZSMWGVTLQS-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.68
Rot. Bonds5

About (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone

(6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 50898913) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID50898913
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)n(CC4CCOC4)c3s2)cn1
InChIInChI=1S/C19H20N2O3S/c1-12-7-15-8-16(18(22)14-3-4-17(23-2)20-9-14)25-19(15)21(12)10-13-5-6-24-11-13/h3-4,7-9,13H,5-6,10-11H2,1-2H3
InChIKeyJEVPZSMWGVTLQS-UHFFFAOYSA-N
XLogP3.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone (CID 50898913) is (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone is COc1ccc(C(=O)c2cc3cc(C)n(CC4CCOC4)c3s2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is JEVPZSMWGVTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-7-15-8-16(18(22)14-3-4-17(23-2)20-9-14)25-19(15)21(12)10-13-5-6-24-11-13/h3-4,7-9,13H,5-6,10-11H2,1-2H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
(6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 356.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[5-methyl-6-(oxolan-3-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 50898913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).