1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine

C25H26F3N5O2 — CID 59363452

IUPAC1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
SMILESCOCCOc1ccn2c(-c3ccc4cc(C(F)(F)F)cc(N5CCC(N)CC5)c4n3)cnc2c1
InChIInChI=1S/C25H26F3N5O2/c1-34-10-11-35-19-6-9-33-22(15-30-23(33)14-19)20-3-2-16-12-17(25(26,27)28)13-21(24(16)31-20)32-7-4-18(29)5-8-32/h2-3,6,9,12-15,18H,4-5,7-8,10-11,29H2,1H3
InChIKeyCEPIRBIYIGKTPE-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.52
Rot. Bonds6

About 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine

1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine (PubChem CID 59363452) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
PubChem CID59363452
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
SMILESCOCCOc1ccn2c(-c3ccc4cc(C(F)(F)F)cc(N5CCC(N)CC5)c4n3)cnc2c1
InChIInChI=1S/C25H26F3N5O2/c1-34-10-11-35-19-6-9-33-22(15-30-23(33)14-19)20-3-2-16-12-17(25(26,27)28)13-21(24(16)31-20)32-7-4-18(29)5-8-32/h2-3,6,9,12-15,18H,4-5,7-8,10-11,29H2,1H3
InChIKeyCEPIRBIYIGKTPE-UHFFFAOYSA-N
XLogP4.52
TPSA77.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.52
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

1-[5-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 59363460
(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
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
CID 59363450
1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 163636070
3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141221336
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-amine
CID 66781550
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
[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl] trifluoromethanesulfonate
CID 86642347
7-(2-methoxyethoxy)-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782225
3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine
CID 155587467

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine?
The IUPAC name of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine (CID 59363452) is 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine is COCCOc1ccn2c(-c3ccc4cc(C(F)(F)F)cc(N5CCC(N)CC5)c4n3)cnc2c1.
What is the InChIKey of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine?
The InChIKey is CEPIRBIYIGKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-34-10-11-35-19-6-9-33-22(15-30-23(33)14-19)20-3-2-16-12-17(25(26,27)28)13-21(24(16)31-20)32-7-4-18(29)5-8-32/h2-3,6,9,12-15,18H,4-5,7-8,10-11,29H2,1H3.
What are the key properties of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine?
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine has a molecular weight of 485.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine is sourced from PubChem (CID 59363452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).