2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one

C21H15ClN2O2S — CID 72715312

IUPAC2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc4c(c3)CCC4)c2c(O)c1-c1cccnc1
InChIInChI=1S/C21H15ClN2O2S/c22-19-15(13-7-6-11-3-1-4-12(11)9-13)17-18(25)16(14-5-2-8-23-10-14)20(26)24-21(17)27-19/h2,5-10H,1,3-4H2,(H2,24,25,26)
InChIKeyPDXRFUXVYGWFJX-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.17
Rot. Bonds2

About 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one

2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 72715312) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID72715312
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC Name2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc4c(c3)CCC4)c2c(O)c1-c1cccnc1
InChIInChI=1S/C21H15ClN2O2S/c22-19-15(13-7-6-11-3-1-4-12(11)9-13)17-18(25)16(14-5-2-8-23-10-14)20(26)24-21(17)27-19/h2,5-10H,1,3-4H2,(H2,24,25,26)
InChIKeyPDXRFUXVYGWFJX-UHFFFAOYSA-N
XLogP5.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (CID 72715312) is 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(-c3ccc4c(c3)CCC4)c2c(O)c1-c1cccnc1.
What is the InChIKey of 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is PDXRFUXVYGWFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-19-15(13-7-6-11-3-1-4-12(11)9-13)17-18(25)16(14-5-2-8-23-10-14)20(26)24-21(17)27-19/h2,5-10H,1,3-4H2,(H2,24,25,26).
What are the key properties of 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 394.88 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 72715312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).