6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one

C22H19N3OS2 — CID 171349778

IUPAC6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESNCC(c1csc2ccccc12)N1CCc2c(-c3cccnc3)csc2C1=O
InChIInChI=1S/C22H19N3OS2/c23-10-19(18-13-27-20-6-2-1-5-15(18)20)25-9-7-16-17(12-28-21(16)22(25)26)14-4-3-8-24-11-14/h1-6,8,11-13,19H,7,9-10,23H2
InChIKeyDCMPROXQCXPUIR-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.72
Rot. Bonds4

About 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one

6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 171349778) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID171349778
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC Name6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESNCC(c1csc2ccccc12)N1CCc2c(-c3cccnc3)csc2C1=O
InChIInChI=1S/C22H19N3OS2/c23-10-19(18-13-27-20-6-2-1-5-15(18)20)25-9-7-16-17(12-28-21(16)22(25)26)14-4-3-8-24-11-14/h1-6,8,11-13,19H,7,9-10,23H2
InChIKeyDCMPROXQCXPUIR-UHFFFAOYSA-N
XLogP4.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 171349778) is 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one is NCC(c1csc2ccccc12)N1CCc2c(-c3cccnc3)csc2C1=O.
What is the InChIKey of 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is DCMPROXQCXPUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c23-10-19(18-13-27-20-6-2-1-5-15(18)20)25-9-7-16-17(12-28-21(16)22(25)26)14-4-3-8-24-11-14/h1-6,8,11-13,19H,7,9-10,23H2.
What are the key properties of 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 405.55 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 171349778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).