2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide

C32H31FN4O3 — CID 70868179

IUPAC2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)C1C(c2ccc(F)cc2)N=C2C=CC(c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3OC)=CN21
InChIInChI=1S/C32H31FN4O3/c1-32(2,23-8-6-5-7-9-23)36-30(38)21-12-16-26(40-4)25(18-21)22-13-17-27-35-28(20-10-14-24(33)15-11-20)29(31(39)34-3)37(27)19-22/h5-19,28-29H,1-4H3,(H,34,39)(H,36,38)
InChIKeyRLYIHAUXMHGYFA-UHFFFAOYSA-N
MW538.62 g/mol
LogP4.98
Rot. Bonds7

About 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide

2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70868179) has the molecular formula C32H31FN4O3 and a molecular weight of 538.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70868179
Molecular FormulaC32H31FN4O3
Molecular Weight538.62 g/mol
Exact Mass538.24
IUPAC Name2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCNC(=O)C1C(c2ccc(F)cc2)N=C2C=CC(c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3OC)=CN21
InChIInChI=1S/C32H31FN4O3/c1-32(2,23-8-6-5-7-9-23)36-30(38)21-12-16-26(40-4)25(18-21)22-13-17-27-35-28(20-10-14-24(33)15-11-20)29(31(39)34-3)37(27)19-22/h5-19,28-29H,1-4H3,(H,34,39)(H,36,38)
InChIKeyRLYIHAUXMHGYFA-UHFFFAOYSA-N
XLogP4.98
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.62
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide (CID 70868179) is 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)C1C(c2ccc(F)cc2)N=C2C=CC(c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3OC)=CN21.
What is the InChIKey of 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RLYIHAUXMHGYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O3/c1-32(2,23-8-6-5-7-9-23)36-30(38)21-12-16-26(40-4)25(18-21)22-13-17-27-35-28(20-10-14-24(33)15-11-20)29(31(39)34-3)37(27)19-22/h5-19,28-29H,1-4H3,(H,34,39)(H,36,38).
What are the key properties of 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 538.62 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70868179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).