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

C22H25F2N3O3 — CID 86724642

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H](C)CCCCO
InChIInChI=1S/C22H25F2N3O3/c1-14(7-3-4-12-28)25-22(29)20-15(2)26-21-19(10-6-11-27(20)21)30-13-16-17(23)8-5-9-18(16)24/h5-6,8-11,14,28H,3-4,7,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyMVRQVIVIYQLNTG-CQSZACIVSA-N
MW417.46 g/mol
LogP3.78
Rot. Bonds9

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

8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86724642) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86724642
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H](C)CCCCO
InChIInChI=1S/C22H25F2N3O3/c1-14(7-3-4-12-28)25-22(29)20-15(2)26-21-19(10-6-11-27(20)21)30-13-16-17(23)8-5-9-18(16)24/h5-6,8-11,14,28H,3-4,7,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyMVRQVIVIYQLNTG-CQSZACIVSA-N
XLogP3.78
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115184
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115945
3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid
CID 90091308
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
CID 90116507
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115694
N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 118389643
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90091301
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
methyl 3-[(1S)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 90091198
8-[(2-chloro-6-fluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 74222539

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 86724642) is 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H](C)CCCCO.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MVRQVIVIYQLNTG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-14(7-3-4-12-28)25-22(29)20-15(2)26-21-19(10-6-11-27(20)21)30-13-16-17(23)8-5-9-18(16)24/h5-6,8-11,14,28H,3-4,7,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.78, 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)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).