2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline

C24H27N5O2 — CID 59363450

IUPAC2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(N5CCN[C@H](C)C5)c4n3)cnc2c1
InChIInChI=1S/C24H27N5O2/c1-17-16-28(11-9-25-17)21-5-3-4-18-6-7-20(27-24(18)21)22-15-26-23-14-19(8-10-29(22)23)31-13-12-30-2/h3-8,10,14-15,17,25H,9,11-13,16H2,1-2H3/t17-/m1/s1
InChIKeyPFLOLESCTHVHMT-QGZVFWFLSA-N
MW417.51 g/mol
LogP3.37
Rot. Bonds6

About 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline (PubChem CID 59363450) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
PubChem CID59363450
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(N5CCN[C@H](C)C5)c4n3)cnc2c1
InChIInChI=1S/C24H27N5O2/c1-17-16-28(11-9-25-17)21-5-3-4-18-6-7-20(27-24(18)21)22-15-26-23-14-19(8-10-29(22)23)31-13-12-30-2/h3-8,10,14-15,17,25H,9,11-13,16H2,1-2H3/t17-/m1/s1
InChIKeyPFLOLESCTHVHMT-QGZVFWFLSA-N
XLogP3.37
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
CID 59363494
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
CID 68600936
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
CID 59176341
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-amine
CID 66781550
1-[5-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 59363460
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
CID 59363452
[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl] trifluoromethanesulfonate
CID 86642347
1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 163636070
8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde
CID 86638607
7-(2-methoxyethoxy)-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782225
3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141221336
benzyl (3S,4S)-3-fluoro-4-[6-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidine-1-carboxylate
CID 67302393

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline?
The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline (CID 59363450) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline?
The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline is COCCOc1ccn2c(-c3ccc4cccc(N5CCN[C@H](C)C5)c4n3)cnc2c1.
What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline?
The InChIKey is PFLOLESCTHVHMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-16-28(11-9-25-17)21-5-3-4-18-6-7-20(27-24(18)21)22-15-26-23-14-19(8-10-29(22)23)31-13-12-30-2/h3-8,10,14-15,17,25H,9,11-13,16H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline?
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline has a molecular weight of 417.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline is sourced from PubChem (CID 59363450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).