2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine

C18H9N7OS — CID 146588501

IUPAC2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(-c3ccc4sc(-c5ccc6[nH]cnc6n5)nc4n3)oc2c1
InChIInChI=1S/C18H9N7OS/c1-2-12-15(19-7-1)24-17(26-12)10-5-6-13-16(22-10)25-18(27-13)11-4-3-9-14(23-11)21-8-20-9/h1-8H,(H,20,21,23)
InChIKeyJVPQNJSSDPGHDE-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.83
Rot. Bonds2

About 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine

2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 146588501) has the molecular formula C18H9N7OS and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID146588501
Molecular FormulaC18H9N7OS
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(-c3ccc4sc(-c5ccc6[nH]cnc6n5)nc4n3)oc2c1
InChIInChI=1S/C18H9N7OS/c1-2-12-15(19-7-1)24-17(26-12)10-5-6-13-16(22-10)25-18(27-13)11-4-3-9-14(23-11)21-8-20-9/h1-8H,(H,20,21,23)
InChIKeyJVPQNJSSDPGHDE-UHFFFAOYSA-N
XLogP3.83
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine (CID 146588501) is 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine is c1cnc2nc(-c3ccc4sc(-c5ccc6[nH]cnc6n5)nc4n3)oc2c1.
What is the InChIKey of 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is JVPQNJSSDPGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9N7OS/c1-2-12-15(19-7-1)24-17(26-12)10-5-6-13-16(22-10)25-18(27-13)11-4-3-9-14(23-11)21-8-20-9/h1-8H,(H,20,21,23).
What are the key properties of 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine?
2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 371.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 146588501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).