2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine

C17H16ClN3O — CID 117166658

IUPAC2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESClc1cccc(-c2nc3cccnc3n2C2CCCOC2)c1
InChIInChI=1S/C17H16ClN3O/c18-13-5-1-4-12(10-13)16-20-15-7-2-8-19-17(15)21(16)14-6-3-9-22-11-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2
InChIKeyKWTBHBLWIIZWGA-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.10
Rot. Bonds2

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

2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117166658) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117166658
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESClc1cccc(-c2nc3cccnc3n2C2CCCOC2)c1
InChIInChI=1S/C17H16ClN3O/c18-13-5-1-4-12(10-13)16-20-15-7-2-8-19-17(15)21(16)14-6-3-9-22-11-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2
InChIKeyKWTBHBLWIIZWGA-UHFFFAOYSA-N
XLogP4.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
2-(3-fluorophenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166582
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
2-(2-methoxyethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117159846
3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
CID 118723490
3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160489
2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
CID 118723086
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
2-(5-chlorofuran-2-yl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117164183
2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165183
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine (CID 117166658) is 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine is Clc1cccc(-c2nc3cccnc3n2C2CCCOC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is KWTBHBLWIIZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-5-1-4-12(10-13)16-20-15-7-2-8-19-17(15)21(16)14-6-3-9-22-11-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2.
What are the key properties of 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine?
2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.79 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).