benzyl (2S)-2-(8-bromoimidazo[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

C45H43BrN6O5 — CID 157261745

IUPACbenzyl (2S)-2-(8-bromoimidazo[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
SMILESCOc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(Br)c2n1
InChIInChI=1S/C26H25N3O3.C19H18BrN3O2/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;20-15-8-4-10-22-12-16(21-18(15)22)17-9-5-11-23(17)19(24)25-13-14-6-2-1-3-7-14/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3;1-4,6-8,10,12,17H,5,9,11,13H2/t23-;17-/m00/s1
InChIKeyAXNSBMNAJDPBQY-NBJNAHQXSA-N
MW827.78 g/mol
LogP10.05
Rot. Bonds8

About benzyl (2S)-2-(8-bromoimidazo[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

benzyl (2S)-2-(8-bromoimidazo[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 157261745) has the molecular formula C45H43BrN6O5 and a molecular weight of 827.78 g/mol. Its IUPAC name is benzyl (2S)-2-(8-bromoimidazo[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.

Molecular Properties

Compound Namebenzyl (2S)-2-(8-bromoimidazo[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 CID157261745
Molecular FormulaC45H43BrN6O5
Molecular Weight827.78 g/mol
Exact Mass826.25
IUPAC Namebenzyl (2S)-2-(8-bromoimidazo[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
SMILESCOc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(Br)c2n1
InChIInChI=1S/C26H25N3O3.C19H18BrN3O2/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;20-15-8-4-10-22-12-16(21-18(15)22)17-9-5-11-23(17)19(24)25-13-14-6-2-1-3-7-14/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3;1-4,6-8,10,12,17H,5,9,11,13H2/t23-;17-/m00/s1
InChIKeyAXNSBMNAJDPBQY-NBJNAHQXSA-N
XLogP10.05
TPSA102.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.78
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze benzyl (2S)-2-(8-bromoimidazo[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10414765, Example 36
CID 139491972
benzyl (2S)-2-(8-bromoimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[8-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 161895239
6-p-Methoxyphenyl HPIP
CID 168339039
3-Ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 57456761
(2S)-benzyl-2-(8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 58056746
benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59843173
benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59843207
tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
CID 59843257
Tert-butyl 2-(4-(2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)ethyl(methyl)carbamate
CID 59843328
(2S)-2-benzyl-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid
CID 66660125
2-[8-(2-Methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylic acid
CID 69094554
3-[2-[1-[4-(3-Imidazo[1,2-a]pyridin-7-yl-2-oxo-1,3-oxazolidin-4-yl)phenoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 123255126

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(8-bromoimidazo[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?
The IUPAC name of benzyl (2S)-2-(8-bromoimidazo[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 (CID 157261745) is benzyl (2S)-2-(8-bromoimidazo[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.
What is the SMILES notation for benzyl (2S)-2-(8-bromoimidazo[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?
The canonical SMILES for benzyl (2S)-2-(8-bromoimidazo[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 is COc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12.O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(Br)c2n1.
What is the InChIKey of benzyl (2S)-2-(8-bromoimidazo[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?
The InChIKey is AXNSBMNAJDPBQY-NBJNAHQXSA-N. The full InChI is InChI=1S/C26H25N3O3.C19H18BrN3O2/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;20-15-8-4-10-22-12-16(21-18(15)22)17-9-5-11-23(17)19(24)25-13-14-6-2-1-3-7-14/h2-7,9-12,14-15,17,23H,8,13,16,18H2,1H3;1-4,6-8,10,12,17H,5,9,11,13H2/t23-;17-/m00/s1.
What are the key properties of benzyl (2S)-2-(8-bromoimidazo[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?
benzyl (2S)-2-(8-bromoimidazo[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 827.78 g/mol, XLogP of 10.05, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(8-bromoimidazo[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 is sourced from PubChem (CID 157261745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).