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

C25H23N3O2 — CID 58056741

IUPACbenzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C25H23N3O2/c29-25(30-18-19-9-3-1-4-10-19)28-16-8-14-23(28)22-17-27-15-7-13-21(24(27)26-22)20-11-5-2-6-12-20/h1-7,9-13,15,17,23H,8,14,16,18H2/t23-/m0/s1
InChIKeyYHDHNFDIXUHBSJ-QHCPKHFHSA-N
MW397.48 g/mol
LogP5.47
Rot. Bonds4

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

benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 58056741) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
PubChem CID58056741
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Namebenzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C25H23N3O2/c29-25(30-18-19-9-3-1-4-10-19)28-16-8-14-23(28)22-17-27-15-7-13-21(24(27)26-22)20-11-5-2-6-12-20/h1-7,9-13,15,17,23H,8,14,16,18H2/t23-/m0/s1
InChIKeyYHDHNFDIXUHBSJ-QHCPKHFHSA-N
XLogP5.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-(8-phenylimidazo[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

Related Compounds

benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089
5-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125453058
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 129126731
benzyl 2-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidine-1-carboxylate
CID 137105609
benzyl 2-[2-(3-methylimidazol-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 134525051
benzyl (1R,8R)-6-phenyl-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-9-carboxylate
CID 122576800

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 58056741) is benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3)c2n1.
What is the InChIKey of benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is YHDHNFDIXUHBSJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(30-18-19-9-3-1-4-10-19)28-16-8-14-23(28)22-17-27-15-7-13-21(24(27)26-22)20-11-5-2-6-12-20/h1-7,9-13,15,17,23H,8,14,16,18H2/t23-/m0/s1.
What are the key properties of benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 5.47, 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-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).