benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate

C25H22FN3O2 — CID 58056751

IUPACbenzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3F)c2n1
InChIInChI=1S/C25H22FN3O2/c26-21-12-5-4-10-19(21)20-11-6-14-28-16-22(27-24(20)28)23-13-7-15-29(23)25(30)31-17-18-8-2-1-3-9-18/h1-6,8-12,14,16,23H,7,13,15,17H2/t23-/m0/s1
InChIKeyBNFSARITSNARJF-QHCPKHFHSA-N
MW415.47 g/mol
LogP5.61
Rot. Bonds4

About benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate (PubChem CID 58056751) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
PubChem CID58056751
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Namebenzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3F)c2n1
InChIInChI=1S/C25H22FN3O2/c26-21-12-5-4-10-19(21)20-11-6-14-28-16-22(27-24(20)28)23-13-7-15-29(23)25(30)31-17-18-8-2-1-3-9-18/h1-6,8-12,14,16,23H,7,13,15,17H2/t23-/m0/s1
InChIKeyBNFSARITSNARJF-QHCPKHFHSA-N
XLogP5.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-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 (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate (CID 58056751) is benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3F)c2n1.
What is the InChIKey of benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is BNFSARITSNARJF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22FN3O2/c26-21-12-5-4-10-19(21)20-11-6-14-28-16-22(27-24(20)28)23-13-7-15-29(23)25(30)31-17-18-8-2-1-3-9-18/h1-6,8-12,14,16,23H,7,13,15,17H2/t23-/m0/s1.
What are the key properties of benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 415.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58056751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).