8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C21H23F2N3O3 — CID 90115405

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1cnc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C21H23F2N3O3/c1-2-3-6-14(12-27)25-21(28)18-11-24-20-19(9-5-10-26(18)20)29-13-15-16(22)7-4-8-17(15)23/h4-5,7-11,14,27H,2-3,6,12-13H2,1H3,(H,25,28)/t14-/m1/s1
InChIKeyOAZQCIJOABHVDX-CQSZACIVSA-N
MW403.43 g/mol
LogP3.47
Rot. Bonds9

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

8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90115405) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90115405
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1cnc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C21H23F2N3O3/c1-2-3-6-14(12-27)25-21(28)18-11-24-20-19(9-5-10-26(18)20)29-13-15-16(22)7-4-8-17(15)23/h4-5,7-11,14,27H,2-3,6,12-13H2,1H3,(H,25,28)/t14-/m1/s1
InChIKeyOAZQCIJOABHVDX-CQSZACIVSA-N
XLogP3.47
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90115405) is 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1cnc2c(OCc3c(F)cccc3F)cccn12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OAZQCIJOABHVDX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-2-3-6-14(12-27)25-21(28)18-11-24-20-19(9-5-10-26(18)20)29-13-15-16(22)7-4-8-17(15)23/h4-5,7-11,14,27H,2-3,6,12-13H2,1H3,(H,25,28)/t14-/m1/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90115405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).