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

C26H25N3O3 — CID 66660125

IUPAC(2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccccc1-c1cccn2cc([C@@]3(Cc4ccccc4)CCCN3C(=O)O)nc12
InChIInChI=1S/C26H25N3O3/c1-32-22-13-6-5-11-20(22)21-12-7-15-28-18-23(27-24(21)28)26(14-8-16-29(26)25(30)31)17-19-9-3-2-4-10-19/h2-7,9-13,15,18H,8,14,16-17H2,1H3,(H,30,31)/t26-/m0/s1
InChIKeyRLSNLLVDJVHDQD-SANMLTNESA-N
MW427.50 g/mol
LogP5.22
Rot. Bonds5

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

(2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 66660125) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID66660125
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name(2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccccc1-c1cccn2cc([C@@]3(Cc4ccccc4)CCCN3C(=O)O)nc12
InChIInChI=1S/C26H25N3O3/c1-32-22-13-6-5-11-20(22)21-12-7-15-28-18-23(27-24(21)28)26(14-8-16-29(26)25(30)31)17-19-9-3-2-4-10-19/h2-7,9-13,15,18H,8,14,16-17H2,1H3,(H,30,31)/t26-/m0/s1
InChIKeyRLSNLLVDJVHDQD-SANMLTNESA-N
XLogP5.22
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid (CID 66660125) is (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid is COc1ccccc1-c1cccn2cc([C@@]3(Cc4ccccc4)CCCN3C(=O)O)nc12.
What is the InChIKey of (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is RLSNLLVDJVHDQD-SANMLTNESA-N. The full InChI is InChI=1S/C26H25N3O3/c1-32-22-13-6-5-11-20(22)21-12-7-15-28-18-23(27-24(21)28)26(14-8-16-29(26)25(30)31)17-19-9-3-2-4-10-19/h2-7,9-13,15,18H,8,14,16-17H2,1H3,(H,30,31)/t26-/m0/s1.
What are the key properties of (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid?
(2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66660125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).