N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C23H25F5N4O2 — CID 126628298

IUPACN-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)NCC(C)(N)CCC(C)(F)F
InChIInChI=1S/C23H25F5N4O2/c1-13-19(21(33)30-12-22(2,29)8-9-23(3,27)28)32-10-4-5-17(20(32)31-13)34-11-14-15(24)6-7-16(25)18(14)26/h4-7,10H,8-9,11-12,29H2,1-3H3,(H,30,33)
InChIKeyLPFNUXBYWPWYPW-UHFFFAOYSA-N
MW484.47 g/mol
LogP4.52
Rot. Bonds9

About N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126628298) has the molecular formula C23H25F5N4O2 and a molecular weight of 484.47 g/mol. Its IUPAC name is N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126628298
Molecular FormulaC23H25F5N4O2
Molecular Weight484.47 g/mol
Exact Mass484.19
IUPAC NameN-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)NCC(C)(N)CCC(C)(F)F
InChIInChI=1S/C23H25F5N4O2/c1-13-19(21(33)30-12-22(2,29)8-9-23(3,27)28)32-10-4-5-17(20(32)31-13)34-11-14-15(24)6-7-16(25)18(14)26/h4-7,10H,8-9,11-12,29H2,1-3H3,(H,30,33)
InChIKeyLPFNUXBYWPWYPW-UHFFFAOYSA-N
XLogP4.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 54.52
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-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-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232417
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232791
[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid
CID 172809275
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
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]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118493182
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-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate
CID 90115516
methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 90090885

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 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) is N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)NCC(C)(N)CCC(C)(F)F.
What is the InChIKey of N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LPFNUXBYWPWYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5N4O2/c1-13-19(21(33)30-12-22(2,29)8-9-23(3,27)28)32-10-4-5-17(20(32)31-13)34-11-14-15(24)6-7-16(25)18(14)26/h4-7,10H,8-9,11-12,29H2,1-3H3,(H,30,33).
What are the key properties of N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 484.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126628298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).