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 — IUPAC name, SMILES, InChIKey & properties

Name: 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 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 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

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 (PubChem CID 158613900) has the molecular formula C68H61ClN8O11S2 and a molecular weight of 1265.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	158613900
Molecular Formula	C68H61ClN8O11S2
Molecular Weight	1265.87 g/mol
Exact Mass	1264.36
IUPAC Name	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
SMILES	CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2ccccc2n1
InChI	InChI=1S/C34H29ClN4O5S.C26H26N2O4S.C8H6N2O2/c1-2-43-34(42)28-19-45-32(37-28)29-13-20(15-39(29)33(41)27-17-38-16-21(35)11-12-30(38)36-27)14-31(40)44-18-26-24-9-5-3-7-22(24)23-8-4-6-10-25(23)26;1-2-31-26(30)23-15-33-25(28-23)22-11-16(13-27-22)12-24(29)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h3-12,16-17,19-20,26,29H,2,13-15,18H2,1H3;3-10,15-16,21-22,27H,2,11-14H2,1H3;1-5H,(H,11,12)/t20-,29-;16-,22-;/m00./s1
InChIKey	HXDWWEHUUPFOIT-XEZSTWBOSA-N
XLogP	12.32
TPSA	235.22 Å²
H-Bond Donors	2
H-Bond Acceptors	19
Rotatable Bonds	16
Heavy Atoms	90
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1265.87
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2ccccc2n1.

What is the InChIKey of 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?

The InChIKey is HXDWWEHUUPFOIT-XEZSTWBOSA-N. The full InChI is InChI=1S/C34H29ClN4O5S.C26H26N2O4S.C8H6N2O2/c1-2-43-34(42)28-19-45-32(37-28)29-13-20(15-39(29)33(41)27-17-38-16-21(35)11-12-30(38)36-27)14-31(40)44-18-26-24-9-5-3-7-22(24)23-8-4-6-10-25(23)26;1-2-31-26(30)23-15-33-25(28-23)22-11-16(13-27-22)12-24(29)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;11-8(12)6-5-10-4-2-1-3-7(10)9-6/h3-12,16-17,19-20,26,29H,2,13-15,18H2,1H3;3-10,15-16,21-22,27H,2,11-14H2,1H3;1-5H,(H,11,12)/t20-,29-;16-,22-;/m00./s1.

What are the key properties of 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?

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158613900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).