8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H25ClFN3O3 — CID 74222539

IUPAC8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3Cl)cccn12
InChIInChI=1S/C22H25ClFN3O3/c1-3-4-7-15(12-28)26-22(29)20-14(2)25-21-19(10-6-11-27(20)21)30-13-16-17(23)8-5-9-18(16)24/h5-6,8-11,15,28H,3-4,7,12-13H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyCMDGTGWCYNYRQY-OAHLLOKOSA-N
MW433.91 g/mol
LogP4.30
Rot. Bonds9

About 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 74222539) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID74222539
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC Name8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3Cl)cccn12
InChIInChI=1S/C22H25ClFN3O3/c1-3-4-7-15(12-28)26-22(29)20-14(2)25-21-19(10-6-11-27(20)21)30-13-16-17(23)8-5-9-18(16)24/h5-6,8-11,15,28H,3-4,7,12-13H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyCMDGTGWCYNYRQY-OAHLLOKOSA-N
XLogP4.30
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 74222539) is 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3Cl)cccn12.
What is the InChIKey of 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CMDGTGWCYNYRQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c1-3-4-7-15(12-28)26-22(29)20-14(2)25-21-19(10-6-11-27(20)21)30-13-16-17(23)8-5-9-18(16)24/h5-6,8-11,15,28H,3-4,7,12-13H2,1-2H3,(H,26,29)/t15-/m1/s1.
What are the key properties of 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 433.91 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 74222539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).