(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol

C24H26N4O4 — CID 66781520

IUPAC(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5O)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O4/c1-30-11-12-31-17-8-10-28-19(14-26-23(28)13-17)18-6-5-16-3-2-4-22(24(16)27-18)32-21-7-9-25-15-20(21)29/h2-6,8,10,13-14,20-21,25,29H,7,9,11-12,15H2,1H3/t20-,21+/m0/s1
InChIKeyLJSSJGXMPSLSIR-LEWJYISDSA-N
MW434.50 g/mol
LogP2.68
Rot. Bonds7

About (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol

(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol (PubChem CID 66781520) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol
PubChem CID66781520
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5O)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O4/c1-30-11-12-31-17-8-10-28-19(14-26-23(28)13-17)18-6-5-16-3-2-4-22(24(16)27-18)32-21-7-9-25-15-20(21)29/h2-6,8,10,13-14,20-21,25,29H,7,9,11-12,15H2,1H3/t20-,21+/m0/s1
InChIKeyLJSSJGXMPSLSIR-LEWJYISDSA-N
XLogP2.68
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline
CID 25098432
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N2-(4-(1,2-dimethyl-1H-imidazol-5-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996108
3-[8-Amino-1-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71763140
3-(5-Methoxy-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 44399721
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
3-[8-Amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762924
8-(1H-benzimidazol-2-ylmethoxy)quinoline
CID 2231560
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-((trans)-4-methoxypyrrolidin-3-yloxy)quinoline
CID 25094492

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol?
The IUPAC name of (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol (CID 66781520) is (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol is COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5O)c4n3)cnc2c1.
What is the InChIKey of (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol?
The InChIKey is LJSSJGXMPSLSIR-LEWJYISDSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-11-12-31-17-8-10-28-19(14-26-23(28)13-17)18-6-5-16-3-2-4-22(24(16)27-18)32-21-7-9-25-15-20(21)29/h2-6,8,10,13-14,20-21,25,29H,7,9,11-12,15H2,1H3/t20-,21+/m0/s1.
What are the key properties of (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol?
(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol has a molecular weight of 434.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol is sourced from PubChem (CID 66781520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).