benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate

C26H23FN4O3 — CID 171550635

IUPACbenzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
SMILESO=C1[C@@H](Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)CCN1c1cn2ccccc2n1
InChIInChI=1S/C26H23FN4O3/c27-21-11-9-19(10-12-21)16-22-25(32)31(24-17-29-13-5-4-8-23(29)28-24)15-14-30(22)26(33)34-18-20-6-2-1-3-7-20/h1-13,17,22H,14-16,18H2/t22-/m1/s1
InChIKeyVKDOJMHZLIAYCN-JOCHJYFZSA-N
MW458.49 g/mol
LogP4.07
Rot. Bonds5

About benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate

benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate (PubChem CID 171550635) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
PubChem CID171550635
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Namebenzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
SMILESO=C1[C@@H](Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)CCN1c1cn2ccccc2n1
InChIInChI=1S/C26H23FN4O3/c27-21-11-9-19(10-12-21)16-22-25(32)31(24-17-29-13-5-4-8-23(29)28-24)15-14-30(22)26(33)34-18-20-6-2-1-3-7-20/h1-13,17,22H,14-16,18H2/t22-/m1/s1
InChIKeyVKDOJMHZLIAYCN-JOCHJYFZSA-N
XLogP4.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate (CID 171550635) is benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate is O=C1[C@@H](Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)CCN1c1cn2ccccc2n1.
What is the InChIKey of benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
The InChIKey is VKDOJMHZLIAYCN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23FN4O3/c27-21-11-9-19(10-12-21)16-22-25(32)31(24-17-29-13-5-4-8-23(29)28-24)15-14-30(22)26(33)34-18-20-6-2-1-3-7-20/h1-13,17,22H,14-16,18H2/t22-/m1/s1.
What are the key properties of benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate has a molecular weight of 458.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(4-fluorophenyl)methyl]-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 171550635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).