benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate

C23H25N3O2 — CID 175615539

IUPACbenzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C23H25N3O2/c1-16-11-12-26(23(27)28-15-17-5-3-2-4-6-17)22(16)20-14-25-13-19(18-7-8-18)9-10-21(25)24-20/h2-6,9-10,13-14,16,18,22H,7-8,11-12,15H2,1H3/t16-,22-/m0/s1
InChIKeyPESZWFYPQXALIG-AOMKIAJQSA-N
MW375.47 g/mol
LogP4.93
Rot. Bonds4

About benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate

benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 175615539) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
PubChem CID175615539
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Namebenzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C23H25N3O2/c1-16-11-12-26(23(27)28-15-17-5-3-2-4-6-17)22(16)20-14-25-13-19(18-7-8-18)9-10-21(25)24-20/h2-6,9-10,13-14,16,18,22H,7-8,11-12,15H2,1H3/t16-,22-/m0/s1
InChIKeyPESZWFYPQXALIG-AOMKIAJQSA-N
XLogP4.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,3R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
CID 175615543
benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 165133490
benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 165131775
benzyl 2-[(2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-oxopyrrolidin-1-yl]acetate
CID 175616649
benzyl (3S)-3-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 165003395
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl (2S,3R)-3-(hydroxymethyl)-2-phenylpyrrolidine-1-carboxylate
CID 167736790
(2R,3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carbothioic S-acid
CID 131712678
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
2-cyclopropyl-7-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155437086

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate (CID 175615539) is benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate is C[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is PESZWFYPQXALIG-AOMKIAJQSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-11-12-26(23(27)28-15-17-5-3-2-4-6-17)22(16)20-14-25-13-19(18-7-8-18)9-10-21(25)24-20/h2-6,9-10,13-14,16,18,22H,7-8,11-12,15H2,1H3/t16-,22-/m0/s1.
What are the key properties of benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate?
benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 175615539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).