N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C23H28F2N4O2 — CID 86717988

IUPACN-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12
InChIInChI=1S/C23H28F2N4O2/c1-5-23(26,6-2)13-27-22(30)20-15(4)28-21-19(10-14(3)11-29(20)21)31-12-16-17(24)8-7-9-18(16)25/h7-11H,5-6,12-13,26H2,1-4H3,(H,27,30)
InChIKeyJFVSLPYPMICAGR-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.06
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717988) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717988
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC NameN-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12
InChIInChI=1S/C23H28F2N4O2/c1-5-23(26,6-2)13-27-22(30)20-15(4)28-21-19(10-14(3)11-29(20)21)31-12-16-17(24)8-7-9-18(16)25/h7-11H,5-6,12-13,26H2,1-4H3,(H,27,30)
InChIKeyJFVSLPYPMICAGR-UHFFFAOYSA-N
XLogP4.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 86717988) is N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is CCC(N)(CC)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JFVSLPYPMICAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-5-23(26,6-2)13-27-22(30)20-15(4)28-21-19(10-14(3)11-29(20)21)31-12-16-17(24)8-7-9-18(16)25/h7-11H,5-6,12-13,26H2,1-4H3,(H,27,30).
What are the key properties of N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).