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

C26H24F4N4O3 — CID 90232491

IUPACN-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3cccc(OC(F)F)c3)n2c1
InChIInChI=1S/C26H24F4N4O3/c1-14-9-22(36-13-18-19(27)7-4-8-20(18)28)24-32-15(2)23(34(24)12-14)25(35)33-21(11-31)16-5-3-6-17(10-16)37-26(29)30/h3-10,12,21,26H,11,13,31H2,1-2H3,(H,33,35)
InChIKeyDSPWRFKOFHVPLB-UHFFFAOYSA-N
MW516.50 g/mol
LogP4.84
Rot. Bonds9

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

N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90232491) has the molecular formula C26H24F4N4O3 and a molecular weight of 516.50 g/mol. Its IUPAC name is N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90232491
Molecular FormulaC26H24F4N4O3
Molecular Weight516.50 g/mol
Exact Mass516.18
IUPAC NameN-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3cccc(OC(F)F)c3)n2c1
InChIInChI=1S/C26H24F4N4O3/c1-14-9-22(36-13-18-19(27)7-4-8-20(18)28)24-32-15(2)23(34(24)12-14)25(35)33-21(11-31)16-5-3-6-17(10-16)37-26(29)30/h3-10,12,21,26H,11,13,31H2,1-2H3,(H,33,35)
InChIKeyDSPWRFKOFHVPLB-UHFFFAOYSA-N
XLogP4.84
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 90232491) is N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3cccc(OC(F)F)c3)n2c1.
What is the InChIKey of N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DSPWRFKOFHVPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O3/c1-14-9-22(36-13-18-19(27)7-4-8-20(18)28)24-32-15(2)23(34(24)12-14)25(35)33-21(11-31)16-5-3-6-17(10-16)37-26(29)30/h3-10,12,21,26H,11,13,31H2,1-2H3,(H,33,35).
What are the key properties of N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 516.50 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-[3-(difluoromethoxy)phenyl]ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90232491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).