5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine

C12H13Cl2N3O — CID 134455317

IUPAC5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1
InChIInChI=1S/C12H13Cl2N3O/c1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10/h6,10H,2-5H2,1H3
InChIKeyUYSOLTUWZOWBLS-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.75
Rot. Bonds1

About 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine

5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 134455317) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
PubChem CID134455317
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1
InChIInChI=1S/C12H13Cl2N3O/c1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10/h6,10H,2-5H2,1H3
InChIKeyUYSOLTUWZOWBLS-UHFFFAOYSA-N
XLogP3.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole
CID 71272508
5-chloro-N-[4-(methoxymethyl)-2-methylsulfanylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455442
5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455795
5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134456291
8-methyl-9-(oxan-2-yl)purine
CID 133062486
5-chloro-N-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134456726
N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 134456646
5-chloro-2-methyl-N-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455980
N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 134456401
5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134456081
N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 134455854

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 134455317) is 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine is Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.
What is the InChIKey of 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is UYSOLTUWZOWBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10/h6,10H,2-5H2,1H3.
What are the key properties of 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 286.16 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134455317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).