methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate

C25H26N4O5 — CID 59176320

IUPACmethyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CN[C@H](C(=O)OC)C5)c4n3)cnc2c1
InChIInChI=1S/C25H26N4O5/c1-31-10-11-33-17-8-9-29-21(15-27-23(29)13-17)19-7-6-16-4-3-5-22(24(16)28-19)34-18-12-20(26-14-18)25(30)32-2/h3-9,13,15,18,20,26H,10-12,14H2,1-2H3/t18-,20-/m0/s1
InChIKeyIJSNUCLXSMVLAS-ICSRJNTNSA-N
MW462.51 g/mol
LogP2.86
Rot. Bonds8

About methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate

methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate (PubChem CID 59176320) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate
PubChem CID59176320
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Namemethyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CN[C@H](C(=O)OC)C5)c4n3)cnc2c1
InChIInChI=1S/C25H26N4O5/c1-31-10-11-33-17-8-9-29-21(15-27-23(29)13-17)19-7-6-16-4-3-5-22(24(16)28-19)34-18-12-20(26-14-18)25(30)32-2/h3-9,13,15,18,20,26H,10-12,14H2,1-2H3/t18-,20-/m0/s1
InChIKeyIJSNUCLXSMVLAS-ICSRJNTNSA-N
XLogP2.86
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate (CID 59176320) is methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate is COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CN[C@H](C(=O)OC)C5)c4n3)cnc2c1.
What is the InChIKey of methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate?
The InChIKey is IJSNUCLXSMVLAS-ICSRJNTNSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-31-10-11-33-17-8-9-29-21(15-27-23(29)13-17)19-7-6-16-4-3-5-22(24(16)28-19)34-18-12-20(26-14-18)25(30)32-2/h3-9,13,15,18,20,26H,10-12,14H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate?
methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 59176320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).