6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

C20H15N5OS — CID 122588242

IUPAC6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNc1ncc(-c2cncc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O
InChIInChI=1S/C20H15N5OS/c21-19-15(11-1-2-14-12(5-11)3-4-23-20(14)26)6-13(7-24-19)16-8-22-9-17-18(16)27-10-25-17/h1-2,5-10H,3-4H2,(H2,21,24)(H,23,26)
InChIKeyYLERTVWFPXCRBL-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.29
Rot. Bonds2

About 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 122588242) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID122588242
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNc1ncc(-c2cncc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O
InChIInChI=1S/C20H15N5OS/c21-19-15(11-1-2-14-12(5-11)3-4-23-20(14)26)6-13(7-24-19)16-8-22-9-17-18(16)27-10-25-17/h1-2,5-10H,3-4H2,(H2,21,24)(H,23,26)
InChIKeyYLERTVWFPXCRBL-UHFFFAOYSA-N
XLogP3.29
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 122588242) is 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is Nc1ncc(-c2cncc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O.
What is the InChIKey of 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is YLERTVWFPXCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c21-19-15(11-1-2-14-12(5-11)3-4-23-20(14)26)6-13(7-24-19)16-8-22-9-17-18(16)27-10-25-17/h1-2,5-10H,3-4H2,(H2,21,24)(H,23,26).
What are the key properties of 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 373.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-([1,3]thiazolo[4,5-c]pyridin-7-yl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 122588242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).