8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C25H23F2N3O3 — CID 118321196

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ccccc1
InChIInChI=1S/C25H23F2N3O3/c1-16-22(24(32)29-25(2,15-31)17-8-4-3-5-9-17)30-13-7-12-21(23(30)28-16)33-14-18-19(26)10-6-11-20(18)27/h3-13,31H,14-15H2,1-2H3,(H,29,32)/t25-/m0/s1
InChIKeyPFDIWQIIAALBRC-VWLOTQADSA-N
MW451.47 g/mol
LogP4.14
Rot. Bonds7

About 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321196) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321196
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ccccc1
InChIInChI=1S/C25H23F2N3O3/c1-16-22(24(32)29-25(2,15-31)17-8-4-3-5-9-17)30-13-7-12-21(23(30)28-16)33-14-18-19(26)10-6-11-20(18)27/h3-13,31H,14-15H2,1-2H3,(H,29,32)/t25-/m0/s1
InChIKeyPFDIWQIIAALBRC-VWLOTQADSA-N
XLogP4.14
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321196) is 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ccccc1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PFDIWQIIAALBRC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-16-22(24(32)29-25(2,15-31)17-8-4-3-5-9-17)30-13-7-12-21(23(30)28-16)33-14-18-19(26)10-6-11-20(18)27/h3-13,31H,14-15H2,1-2H3,(H,29,32)/t25-/m0/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 451.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).