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

C24H19F5N4O2 — CID 86717952

IUPACN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(F)cn2c1C(=O)NC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F5N4O2/c1-12-22(24(34)32-20(9-30)13-5-6-18(28)19(29)7-13)33-10-14(25)8-21(23(33)31-12)35-11-15-16(26)3-2-4-17(15)27/h2-8,10,20H,9,11,30H2,1H3,(H,32,34)
InChIKeyYRAWXCPUMMXMCO-UHFFFAOYSA-N
MW490.43 g/mol
LogP4.35
Rot. Bonds7

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

N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86717952) has the molecular formula C24H19F5N4O2 and a molecular weight of 490.43 g/mol. Its IUPAC name is N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86717952
Molecular FormulaC24H19F5N4O2
Molecular Weight490.43 g/mol
Exact Mass490.14
IUPAC NameN-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(F)cn2c1C(=O)NC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C24H19F5N4O2/c1-12-22(24(34)32-20(9-30)13-5-6-18(28)19(29)7-13)33-10-14(25)8-21(23(33)31-12)35-11-15-16(26)3-2-4-17(15)27/h2-8,10,20H,9,11,30H2,1H3,(H,32,34)
InChIKeyYRAWXCPUMMXMCO-UHFFFAOYSA-N
XLogP4.35
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.35
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]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717950
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
[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
8-[(2,6-difluorophenyl)methoxy]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090866
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
[2-(3,4-difluorophenyl)-2-[(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]carbamic acid
CID 90114108
6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121301912
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126636186
1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090948
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 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) is N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[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]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(F)cn2c1C(=O)NC(CN)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YRAWXCPUMMXMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N4O2/c1-12-22(24(34)32-20(9-30)13-5-6-18(28)19(29)7-13)33-10-14(25)8-21(23(33)31-12)35-11-15-16(26)3-2-4-17(15)27/h2-8,10,20H,9,11,30H2,1H3,(H,32,34).
What are the key properties of N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 490.43 g/mol, XLogP of 4.35, 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]-6-fluoro-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86717952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).