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

C22H24BrF2N3O3 — CID 129268103

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCC(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Br)cn12
InChIInChI=1S/C22H24BrF2N3O3/c1-3-4-6-15(11-29)27-22(30)20-13(2)26-21-19(9-14(23)10-28(20)21)31-12-16-17(24)7-5-8-18(16)25/h5,7-10,15,29H,3-4,6,11-12H2,1-2H3,(H,27,30)
InChIKeyNRGYPWVBMFTDNF-UHFFFAOYSA-N
MW496.35 g/mol
LogP4.54
Rot. Bonds9

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

6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 129268103) has the molecular formula C22H24BrF2N3O3 and a molecular weight of 496.35 g/mol. Its IUPAC name is 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID129268103
Molecular FormulaC22H24BrF2N3O3
Molecular Weight496.35 g/mol
Exact Mass495.10
IUPAC Name6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCC(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Br)cn12
InChIInChI=1S/C22H24BrF2N3O3/c1-3-4-6-15(11-29)27-22(30)20-13(2)26-21-19(9-14(23)10-28(20)21)31-12-16-17(24)7-5-8-18(16)25/h5,7-10,15,29H,3-4,6,11-12H2,1-2H3,(H,27,30)
InChIKeyNRGYPWVBMFTDNF-UHFFFAOYSA-N
XLogP4.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 129268103) is 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCCC(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Br)cn12.
What is the InChIKey of 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NRGYPWVBMFTDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrF2N3O3/c1-3-4-6-15(11-29)27-22(30)20-13(2)26-21-19(9-14(23)10-28(20)21)31-12-16-17(24)7-5-8-18(16)25/h5,7-10,15,29H,3-4,6,11-12H2,1-2H3,(H,27,30).
What are the key properties of 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 496.35 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 129268103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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