6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

C66H58Cl2N10O11S2 — CID 163675617

IUPAC6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C33H28ClN5O5S.C25H25N3O4S.C8H5ClN2O2/c1-2-43-32(41)27-18-45-30(37-27)28-13-20(15-39(28)31(40)26-16-38-14-19(34)11-12-29(38)36-26)35-33(42)44-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25;1-2-31-24(29)22-14-33-23(28-22)21-11-15(12-26-21)27-25(30)32-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h3-12,14,16,18,20,25,28H,2,13,15,17H2,1H3,(H,35,42);3-10,14-15,20-21,26H,2,11-13H2,1H3,(H,27,30);1-4H,(H,12,13)/t20-,28+;15-,21+;/m11./s1
InChIKeyJGLFTBQAZBYMLF-KZEKRQKKSA-N
MW1302.29 g/mol
LogP12.06
Rot. Bonds14

About 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 163675617) has the molecular formula C66H58Cl2N10O11S2 and a molecular weight of 1302.29 g/mol. Its IUPAC name is 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID163675617
Molecular FormulaC66H58Cl2N10O11S2
Molecular Weight1302.29 g/mol
Exact Mass1300.31
IUPAC Name6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc([C@@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C33H28ClN5O5S.C25H25N3O4S.C8H5ClN2O2/c1-2-43-32(41)27-18-45-30(37-27)28-13-20(15-39(28)31(40)26-16-38-14-19(34)11-12-29(38)36-26)35-33(42)44-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25;1-2-31-24(29)22-14-33-23(28-22)21-11-15(12-26-21)27-25(30)32-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h3-12,14,16,18,20,25,28H,2,13,15,17H2,1H3,(H,35,42);3-10,14-15,20-21,26H,2,11-13H2,1H3,(H,27,30);1-4H,(H,12,13)/t20-,28+;15-,21+;/m11./s1
InChIKeyJGLFTBQAZBYMLF-KZEKRQKKSA-N
XLogP12.06
TPSA259.28 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001302.29
LogP ≤ 512.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2R,4R)-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137464935
ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137465007
ethyl 2-[(2R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137465053
ethyl 2-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137465122
ethyl 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137465141
ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 154608007
ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;imidazo[1,2-a]pyridine-2-carboxylic acid
CID 158613900
1,2-dimethylimidazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(1-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 159223452
benzyl (2R)-2-carbamothioylpyrrolidine-1-carboxylate;benzyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl N-[N'-[(5S)-5-amino-6-oxooctyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;tert-butyl N-[N-[(5R)-7-[2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]-5-(methylcarbamoyl)-7-oxoheptyl]-C-methylcarbonimidoyl]carbamate;2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[(2R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 159411205
CID 160337959
CID 160337959
2-[(2S,4R)-4-amino-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 160500615
2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 160615389

Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (CID 163675617) is 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is JGLFTBQAZBYMLF-KZEKRQKKSA-N. The full InChI is InChI=1S/C33H28ClN5O5S.C25H25N3O4S.C8H5ClN2O2/c1-2-43-32(41)27-18-45-30(37-27)28-13-20(15-39(28)31(40)26-16-38-14-19(34)11-12-29(38)36-26)35-33(42)44-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25;1-2-31-24(29)22-14-33-23(28-22)21-11-15(12-26-21)27-25(30)32-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h3-12,14,16,18,20,25,28H,2,13,15,17H2,1H3,(H,35,42);3-10,14-15,20-21,26H,2,11-13H2,1H3,(H,27,30);1-4H,(H,12,13)/t20-,28+;15-,21+;/m11./s1.
What are the key properties of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?
6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 1302.29 g/mol, XLogP of 12.06, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 163675617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).