1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone

C23H19N3OS — CID 53466728

IUPAC1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESNc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12
InChIInChI=1S/C23H19N3OS/c24-23-22-18(14-28-20(22)8-10-25-23)16-6-7-19-17(13-16)9-11-26(19)21(27)12-15-4-2-1-3-5-15/h1-8,10,13-14H,9,11-12H2,(H2,24,25)
InChIKeyZDMNFWRMUCKWCS-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.68
Rot. Bonds3

About 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone

1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone (PubChem CID 53466728) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone
PubChem CID53466728
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESNc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12
InChIInChI=1S/C23H19N3OS/c24-23-22-18(14-28-20(22)8-10-25-23)16-6-7-19-17(13-16)9-11-26(19)21(27)12-15-4-2-1-3-5-15/h1-8,10,13-14H,9,11-12H2,(H2,24,25)
InChIKeyZDMNFWRMUCKWCS-UHFFFAOYSA-N
XLogP4.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone (CID 53466728) is 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone is Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12.
What is the InChIKey of 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The InChIKey is ZDMNFWRMUCKWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c24-23-22-18(14-28-20(22)8-10-25-23)16-6-7-19-17(13-16)9-11-26(19)21(27)12-15-4-2-1-3-5-15/h1-8,10,13-14H,9,11-12H2,(H2,24,25).
What are the key properties of 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone has a molecular weight of 385.49 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone is sourced from PubChem (CID 53466728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).