N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C22H24F3N3O3 — CID 86718193

IUPACN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cc(F)cc3F)cccn12
InChIInChI=1S/C22H24F3N3O3/c1-3-4-6-15(11-29)27-22(30)20-13(2)26-21-19(7-5-8-28(20)21)31-12-16-17(24)9-14(23)10-18(16)25/h5,7-10,15,29H,3-4,6,11-12H2,1-2H3,(H,27,30)/t15-/m1/s1
InChIKeyGUSVOIPAUUYZGS-OAHLLOKOSA-N
MW435.45 g/mol
LogP3.92
Rot. Bonds9

About N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86718193) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86718193
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cc(F)cc3F)cccn12
InChIInChI=1S/C22H24F3N3O3/c1-3-4-6-15(11-29)27-22(30)20-13(2)26-21-19(7-5-8-28(20)21)31-12-16-17(24)9-14(23)10-18(16)25/h5,7-10,15,29H,3-4,6,11-12H2,1-2H3,(H,27,30)/t15-/m1/s1
InChIKeyGUSVOIPAUUYZGS-OAHLLOKOSA-N
XLogP3.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 86718193) is N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cc(F)cc3F)cccn12.
What is the InChIKey of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GUSVOIPAUUYZGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-3-4-6-15(11-29)27-22(30)20-13(2)26-21-19(7-5-8-28(20)21)31-12-16-17(24)9-14(23)10-18(16)25/h5,7-10,15,29H,3-4,6,11-12H2,1-2H3,(H,27,30)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-[(2,4,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86718193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).