4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one

C15H10ClN5OS — CID 159007490

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1nc2n(Cc3ccc(Cl)nc3)cccc-2n1-c1nccs1
InChIInChI=1S/C15H10ClN5OS/c16-12-4-3-10(8-18-12)9-20-6-1-2-11-13(20)19-14(22)21(11)15-17-5-7-23-15/h1-8H,9H2
InChIKeyJSCGUYPEFUPJMD-UHFFFAOYSA-N
MW343.80 g/mol
LogP2.69
Rot. Bonds3

About 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one

4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one (PubChem CID 159007490) has the molecular formula C15H10ClN5OS and a molecular weight of 343.80 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one
PubChem CID159007490
Molecular FormulaC15H10ClN5OS
Molecular Weight343.80 g/mol
Exact Mass343.03
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1nc2n(Cc3ccc(Cl)nc3)cccc-2n1-c1nccs1
InChIInChI=1S/C15H10ClN5OS/c16-12-4-3-10(8-18-12)9-20-6-1-2-11-13(20)19-14(22)21(11)15-17-5-7-23-15/h1-8H,9H2
InChIKeyJSCGUYPEFUPJMD-UHFFFAOYSA-N
XLogP2.69
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one (CID 159007490) is 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one is O=c1nc2n(Cc3ccc(Cl)nc3)cccc-2n1-c1nccs1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is JSCGUYPEFUPJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5OS/c16-12-4-3-10(8-18-12)9-20-6-1-2-11-13(20)19-14(22)21(11)15-17-5-7-23-15/h1-8H,9H2.
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one?
4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 343.80 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 159007490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).