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

C26H25N3O3 — CID 58056746

IUPACbenzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
SMILESCOc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12
InChIInChI=1S/C26H25N3O3/c1-31-24-14-6-5-11-20(24)21-12-7-15-28-17-22(27-25(21)28)23-13-8-16-29(23)26(30)32-18-19-9-3-2-4-10-19/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3/t23-/m0/s1
InChIKeyFZTJSALBJGZIQW-QHCPKHFHSA-N
MW427.50 g/mol
LogP5.48
Rot. Bonds5

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

benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate (PubChem CID 58056746) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
PubChem CID58056746
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Namebenzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
SMILESCOc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12
InChIInChI=1S/C26H25N3O3/c1-31-24-14-6-5-11-20(24)21-12-7-15-28-17-22(27-25(21)28)23-13-8-16-29(23)26(30)32-18-19-9-3-2-4-10-19/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3/t23-/m0/s1
InChIKeyFZTJSALBJGZIQW-QHCPKHFHSA-N
XLogP5.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate (CID 58056746) is benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate is COc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12.
What is the InChIKey of benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is FZTJSALBJGZIQW-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-31-24-14-6-5-11-20(24)21-12-7-15-28-17-22(27-25(21)28)23-13-8-16-29(23)26(30)32-18-19-9-3-2-4-10-19/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3/t23-/m0/s1.
What are the key properties of benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58056746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).