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

C22H23N3O3 — CID 165133490

IUPACbenzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C22H23N3O3/c26-18-10-20(25(12-18)22(27)28-14-15-4-2-1-3-5-15)19-13-24-11-17(16-6-7-16)8-9-21(24)23-19/h1-5,8-9,11,13,16,18,20,26H,6-7,10,12,14H2/t18-,20-/m1/s1
InChIKeyLRMNZKBLGNZADV-UYAOXDASSA-N
MW377.44 g/mol
LogP3.66
Rot. Bonds4

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

benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 165133490) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID165133490
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namebenzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C22H23N3O3/c26-18-10-20(25(12-18)22(27)28-14-15-4-2-1-3-5-15)19-13-24-11-17(16-6-7-16)8-9-21(24)23-19/h1-5,8-9,11,13,16,18,20,26H,6-7,10,12,14H2/t18-,20-/m1/s1
InChIKeyLRMNZKBLGNZADV-UYAOXDASSA-N
XLogP3.66
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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 (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
CID 175615539
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 (2S,4S)-2-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 54234603
benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 141361242
benzyl (2S,5S)-2-(4-cyanophenyl)-5-hydroxypiperidine-1-carboxylate
CID 125483095
benzyl (2S,4R)-4-hydroxy-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 167189286
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate (CID 165133490) is benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is LRMNZKBLGNZADV-UYAOXDASSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-18-10-20(25(12-18)22(27)28-14-15-4-2-1-3-5-15)19-13-24-11-17(16-6-7-16)8-9-21(24)23-19/h1-5,8-9,11,13,16,18,20,26H,6-7,10,12,14H2/t18-,20-/m1/s1.
What are the key properties of benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 165133490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).