N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C25H22F4N4O2 — CID 86717950

IUPACN-[2-amino-1-(3,4-difluorophenyl)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)c3ccc(F)c(F)c3)n2c1
InChIInChI=1S/C25H22F4N4O2/c1-13-8-22(35-12-16-17(26)4-3-5-18(16)27)24-31-14(2)23(33(24)11-13)25(34)32-21(10-30)15-6-7-19(28)20(29)9-15/h3-9,11,21H,10,12,30H2,1-2H3,(H,32,34)
InChIKeyYITMQGNTGHVZIN-UHFFFAOYSA-N
MW486.47 g/mol
LogP4.52
Rot. Bonds7

About N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717950) has the molecular formula C25H22F4N4O2 and a molecular weight of 486.47 g/mol. Its IUPAC name is N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717950
Molecular FormulaC25H22F4N4O2
Molecular Weight486.47 g/mol
Exact Mass486.17
IUPAC NameN-[2-amino-1-(3,4-difluorophenyl)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)c3ccc(F)c(F)c3)n2c1
InChIInChI=1S/C25H22F4N4O2/c1-13-8-22(35-12-16-17(26)4-3-5-18(16)27)24-31-14(2)23(33(24)11-13)25(34)32-21(10-30)15-6-7-19(28)20(29)9-15/h3-9,11,21H,10,12,30H2,1-2H3,(H,32,34)
InChIKeyYITMQGNTGHVZIN-UHFFFAOYSA-N
XLogP4.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717952
N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90232466
N-(2-aminopropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114683
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-N-prop-2-enoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 118402064
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118403399
tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate
CID 118402058
[2-[[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-(3,4-difluorophenyl)ethyl]carbamic acid
CID 90114317
4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
CID 159478514
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
CID 90114298
N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118385981

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 86717950) is N-[2-amino-1-(3,4-difluorophenyl)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-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(3,4-difluorophenyl)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)c3ccc(F)c(F)c3)n2c1.
What is the InChIKey of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YITMQGNTGHVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O2/c1-13-8-22(35-12-16-17(26)4-3-5-18(16)27)24-31-14(2)23(33(24)11-13)25(34)32-21(10-30)15-6-7-19(28)20(29)9-15/h3-9,11,21H,10,12,30H2,1-2H3,(H,32,34).
What are the key properties of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 486.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).