6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one

C21H21ClN4OS — CID 138374853

IUPAC6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCN(c4cncc5sccc45)CC3)c(Cl)cc2N1
InChIInChI=1S/C21H21ClN4OS/c22-17-11-18-15(10-21(27)24-18)9-14(17)1-3-25-4-6-26(7-5-25)19-12-23-13-20-16(19)2-8-28-20/h2,8-9,11-13H,1,3-7,10H2,(H,24,27)
InChIKeyMPDQCQJPJRABDG-UHFFFAOYSA-N
MW412.95 g/mol
LogP3.81
Rot. Bonds4

About 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one

6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 138374853) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
PubChem CID138374853
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC Name6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCN(c4cncc5sccc45)CC3)c(Cl)cc2N1
InChIInChI=1S/C21H21ClN4OS/c22-17-11-18-15(10-21(27)24-18)9-14(17)1-3-25-4-6-26(7-5-25)19-12-23-13-20-16(19)2-8-28-20/h2,8-9,11-13H,1,3-7,10H2,(H,24,27)
InChIKeyMPDQCQJPJRABDG-UHFFFAOYSA-N
XLogP3.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one (CID 138374853) is 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCN3CCN(c4cncc5sccc45)CC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is MPDQCQJPJRABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4OS/c22-17-11-18-15(10-21(27)24-18)9-14(17)1-3-25-4-6-26(7-5-25)19-12-23-13-20-16(19)2-8-28-20/h2,8-9,11-13H,1,3-7,10H2,(H,24,27).
What are the key properties of 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 412.95 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(4-thieno[2,3-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 138374853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).