N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C23H26F4N4O2 — CID 90232791

IUPACN-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)c(F)cc(F)c3F)cc(C)cn12
InChIInChI=1S/C23H26F4N4O2/c1-5-6-23(4,28)11-29-22(32)20-13(3)30-21-17(7-12(2)9-31(20)21)33-10-14-18(26)15(24)8-16(25)19(14)27/h7-9H,5-6,10-11,28H2,1-4H3,(H,29,32)
InChIKeyCALBULWIXSYPPI-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.33
Rot. Bonds8

About N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90232791) has the molecular formula C23H26F4N4O2 and a molecular weight of 466.48 g/mol. Its IUPAC name is N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90232791
Molecular FormulaC23H26F4N4O2
Molecular Weight466.48 g/mol
Exact Mass466.20
IUPAC NameN-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)c(F)cc(F)c3F)cc(C)cn12
InChIInChI=1S/C23H26F4N4O2/c1-5-6-23(4,28)11-29-22(32)20-13(3)30-21-17(7-12(2)9-31(20)21)33-10-14-18(26)15(24)8-16(25)19(14)27/h7-9H,5-6,10-11,28H2,1-4H3,(H,29,32)
InChIKeyCALBULWIXSYPPI-UHFFFAOYSA-N
XLogP4.33
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 90232791) is N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCCC(C)(N)CNC(=O)c1c(C)nc2c(OCc3c(F)c(F)cc(F)c3F)cc(C)cn12.
What is the InChIKey of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CALBULWIXSYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N4O2/c1-5-6-23(4,28)11-29-22(32)20-13(3)30-21-17(7-12(2)9-31(20)21)33-10-14-18(26)15(24)8-16(25)19(14)27/h7-9H,5-6,10-11,28H2,1-4H3,(H,29,32).
What are the key properties of N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 466.48 g/mol, XLogP of 4.33, 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-[(2,3,5,6-tetrafluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90232791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).