2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C31H27FN4O2 — CID 67217154

IUPAC2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cccc(-c2ccc3nc(Cc4ccc(F)cc4)c(C(N)=O)n3c2)c1)c1ccccc1
InChIInChI=1S/C31H27FN4O2/c1-31(2,24-9-4-3-5-10-24)35-30(38)22-8-6-7-21(18-22)23-13-16-27-34-26(28(29(33)37)36(27)19-23)17-20-11-14-25(32)15-12-20/h3-16,18-19H,17H2,1-2H3,(H2,33,37)(H,35,38)
InChIKeyWLWMRJJIYBCZGV-UHFFFAOYSA-N
MW506.58 g/mol
LogP5.50
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67217154) has the molecular formula C31H27FN4O2 and a molecular weight of 506.58 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67217154
Molecular FormulaC31H27FN4O2
Molecular Weight506.58 g/mol
Exact Mass506.21
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cccc(-c2ccc3nc(Cc4ccc(F)cc4)c(C(N)=O)n3c2)c1)c1ccccc1
InChIInChI=1S/C31H27FN4O2/c1-31(2,24-9-4-3-5-10-24)35-30(38)22-8-6-7-21(18-22)23-13-16-27-34-26(28(29(33)37)36(27)19-23)17-20-11-14-25(32)15-12-20/h3-16,18-19H,17H2,1-2H3,(H2,33,37)(H,35,38)
InChIKeyWLWMRJJIYBCZGV-UHFFFAOYSA-N
XLogP5.50
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67217154) is 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)(NC(=O)c1cccc(-c2ccc3nc(Cc4ccc(F)cc4)c(C(N)=O)n3c2)c1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WLWMRJJIYBCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O2/c1-31(2,24-9-4-3-5-10-24)35-30(38)22-8-6-7-21(18-22)23-13-16-27-34-26(28(29(33)37)36(27)19-23)17-20-11-14-25(32)15-12-20/h3-16,18-19H,17H2,1-2H3,(H2,33,37)(H,35,38).
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67217154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).