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

C23H24F6N4O2 — CID 86724807

IUPACN-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)NCC(C)(N)CCC(F)(F)F)n2c1
InChIInChI=1S/C23H24F6N4O2/c1-12-8-17(35-10-14-15(24)4-5-16(25)18(14)26)20-32-13(2)19(33(20)9-12)21(34)31-11-22(3,30)6-7-23(27,28)29/h4-5,8-9H,6-7,10-11,30H2,1-3H3,(H,31,34)
InChIKeyOZCNXQSBZSVKAE-UHFFFAOYSA-N
MW502.46 g/mol
LogP4.74
Rot. Bonds8

About 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

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 (PubChem CID 86724807) has the molecular formula C23H24F6N4O2 and a molecular weight of 502.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86724807
Molecular FormulaC23H24F6N4O2
Molecular Weight502.46 g/mol
Exact Mass502.18
IUPAC NameN-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)NCC(C)(N)CCC(F)(F)F)n2c1
InChIInChI=1S/C23H24F6N4O2/c1-12-8-17(35-10-14-15(24)4-5-16(25)18(14)26)20-32-13(2)19(33(20)9-12)21(34)31-11-22(3,30)6-7-23(27,28)29/h4-5,8-9H,6-7,10-11,30H2,1-3H3,(H,31,34)
InChIKeyOZCNXQSBZSVKAE-UHFFFAOYSA-N
XLogP4.74
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 54.74
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-5,5,5-trifluoro-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-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 86724807) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(C(=O)NCC(C)(N)CCC(F)(F)F)n2c1.
What is the InChIKey of 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?
The InChIKey is OZCNXQSBZSVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N4O2/c1-12-8-17(35-10-14-15(24)4-5-16(25)18(14)26)20-32-13(2)19(33(20)9-12)21(34)31-11-22(3,30)6-7-23(27,28)29/h4-5,8-9H,6-7,10-11,30H2,1-3H3,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 502.46 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).