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

C20H20ClF3N4O2 — CID 118493182

IUPACN-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CF
InChIInChI=1S/C20H20ClF3N4O2/c1-11-17(19(29)26-10-20(2,25)9-22)28-7-12(21)6-16(18(28)27-11)30-8-13-14(23)4-3-5-15(13)24/h3-7H,8-10,25H2,1-2H3,(H,26,29)
InChIKeyHXBFJIFCOBCCLZ-UHFFFAOYSA-N
MW440.85 g/mol
LogP3.57
Rot. Bonds7

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

N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118493182) has the molecular formula C20H20ClF3N4O2 and a molecular weight of 440.85 g/mol. Its IUPAC name is N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118493182
Molecular FormulaC20H20ClF3N4O2
Molecular Weight440.85 g/mol
Exact Mass440.12
IUPAC NameN-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CF
InChIInChI=1S/C20H20ClF3N4O2/c1-11-17(19(29)26-10-20(2,25)9-22)28-7-12(21)6-16(18(28)27-11)30-8-13-14(23)4-3-5-15(13)24/h3-7H,8-10,25H2,1-2H3,(H,26,29)
InChIKeyHXBFJIFCOBCCLZ-UHFFFAOYSA-N
XLogP3.57
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90251291
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724740
N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118488770
3-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid;2,2,2-trifluoroacetic acid
CID 90114047
tert-butyl N-[4-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
CID 86717906
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232417
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
CID 118389641
[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid
CID 90114029
N-[(2-amino-2-methylbutyl)carbamoyl]-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129304662
tert-butyl N-[4-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 86717905
tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid
CID 129068696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118493182) is N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CF.
What is the InChIKey of N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HXBFJIFCOBCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O2/c1-11-17(19(29)26-10-20(2,25)9-22)28-7-12(21)6-16(18(28)27-11)30-8-13-14(23)4-3-5-15(13)24/h3-7H,8-10,25H2,1-2H3,(H,26,29).
What are the key properties of N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 440.85 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118493182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).