N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C23H27F3N4O2 — CID 90232417

IUPACN-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(C)cn12
InChIInChI=1S/C23H27F3N4O2/c1-5-8-23(4,27)12-28-22(31)20-14(3)29-21-18(9-13(2)10-30(20)21)32-11-15-16(24)6-7-17(25)19(15)26/h6-7,9-10H,5,8,11-12,27H2,1-4H3,(H,28,31)
InChIKeyKALXKOJUORHOPM-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.19
Rot. Bonds8

About N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90232417) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90232417
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC NameN-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(C)cn12
InChIInChI=1S/C23H27F3N4O2/c1-5-8-23(4,27)12-28-22(31)20-14(3)29-21-18(9-13(2)10-30(20)21)32-11-15-16(24)6-7-17(25)19(15)26/h6-7,9-10H,5,8,11-12,27H2,1-4H3,(H,28,31)
InChIKeyKALXKOJUORHOPM-UHFFFAOYSA-N
XLogP4.19
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232791
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 86724807
N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 126628298
N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118493182
4-amino-1-[6-(difluoromethyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-methylheptan-1-one;N-(2-amino-2-methylpentyl)-8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylpentyl)-6-(difluoromethyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-6-ethynyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide;methane
CID 160626218
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
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-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90251291
benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
CID 118403115
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
2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 118385328

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 90232417) is N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(C)cn12.
What is the InChIKey of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KALXKOJUORHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-5-8-23(4,27)12-28-22(31)20-14(3)29-21-18(9-13(2)10-30(20)21)32-11-15-16(24)6-7-17(25)19(15)26/h6-7,9-10H,5,8,11-12,27H2,1-4H3,(H,28,31).
What are the key properties of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 4.19, 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-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90232417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).