benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate

C23H25N3O3 — CID 165131775

IUPACbenzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate
SMILESCC1(O)C[C@H](c2cn3cc(C4CC4)ccc3n2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C23H25N3O3/c1-23(28)11-20(26(15-23)22(27)29-14-16-5-3-2-4-6-16)19-13-25-12-18(17-7-8-17)9-10-21(25)24-19/h2-6,9-10,12-13,17,20,28H,7-8,11,14-15H2,1H3/t20-,23?/m1/s1
InChIKeyTYCPMWJHUYZZDP-PPUHSXQSSA-N
MW391.47 g/mol
LogP4.05
Rot. Bonds4

About benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate

benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate (PubChem CID 165131775) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate
PubChem CID165131775
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namebenzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate
SMILESCC1(O)C[C@H](c2cn3cc(C4CC4)ccc3n2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C23H25N3O3/c1-23(28)11-20(26(15-23)22(27)29-14-16-5-3-2-4-6-16)19-13-25-12-18(17-7-8-17)9-10-21(25)24-19/h2-6,9-10,12-13,17,20,28H,7-8,11,14-15H2,1H3/t20-,23?/m1/s1
InChIKeyTYCPMWJHUYZZDP-PPUHSXQSSA-N
XLogP4.05
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 165133490
benzyl (2R,3R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
CID 175615543
benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
CID 175615539
benzyl 2-[(2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-oxopyrrolidin-1-yl]acetate
CID 175616649
benzyl (2S,4R)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 174161379
benzyl (2S,3S)-2-ethyl-3-hydroxy-3-methylpyrrolidine-1-carboxylate
CID 59273087
benzyl (3S,4S)-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 101067345
benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 58056741
2-cyclopropyl-7-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155437086
benzyl 9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-9-carboxylate
CID 129067856
(2R)-2-tert-butyl-3-methyl-4-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 68861934
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate (CID 165131775) is benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate is CC1(O)C[C@H](c2cn3cc(C4CC4)ccc3n2)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate?
The InChIKey is TYCPMWJHUYZZDP-PPUHSXQSSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(28)11-20(26(15-23)22(27)29-14-16-5-3-2-4-6-16)19-13-25-12-18(17-7-8-17)9-10-21(25)24-19/h2-6,9-10,12-13,17,20,28H,7-8,11,14-15H2,1H3/t20-,23?/m1/s1.
What are the key properties of benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate?
benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 165131775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).