(6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone

C19H19N3OS — CID 53357639

IUPAC(6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cc3ccsc3n2CC)c2cccnc21
InChIInChI=1S/C19H19N3OS/c1-3-9-21-12-15(14-6-5-8-20-18(14)21)17(23)16-11-13-7-10-24-19(13)22(16)4-2/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyBGQSTDAOWJYYGB-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.71
Rot. Bonds5

About (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone

(6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 53357639) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID53357639
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cc3ccsc3n2CC)c2cccnc21
InChIInChI=1S/C19H19N3OS/c1-3-9-21-12-15(14-6-5-8-20-18(14)21)17(23)16-11-13-7-10-24-19(13)22(16)4-2/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyBGQSTDAOWJYYGB-UHFFFAOYSA-N
XLogP4.71
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone (CID 53357639) is (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone is CCCn1cc(C(=O)c2cc3ccsc3n2CC)c2cccnc21.
What is the InChIKey of (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is BGQSTDAOWJYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-9-21-12-15(14-6-5-8-20-18(14)21)17(23)16-11-13-7-10-24-19(13)22(16)4-2/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone?
(6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 337.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 53357639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).