7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine

C53H54FN9O2 — CID 126614086

IUPAC7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
SMILESCc1ccc(-c2cn3ccc(N4CCOCC4)cc3n2)cc1.Cc1cccc(-c2cn3ccc(N4CCOCC4)cc3n2)c1.F[C@H]1CCN(c2ccn3cc(-c4ccccc4)nc3c2)C1
InChIInChI=1S/2C18H19N3O.C17H16FN3/c1-14-2-4-15(5-3-14)17-13-21-7-6-16(12-18(21)19-17)20-8-10-22-11-9-20;1-14-3-2-4-15(11-14)17-13-21-6-5-16(12-18(21)19-17)20-7-9-22-10-8-20;18-14-6-8-20(11-14)15-7-9-21-12-16(19-17(21)10-15)13-4-2-1-3-5-13/h2-7,12-13H,8-11H2,1H3;2-6,11-13H,7-10H2,1H3;1-5,7,9-10,12,14H,6,8,11H2/t;;14-/m..0/s1
InChIKeyCQALHZCSLIOIQA-JQCTVTDFSA-N
MW868.07 g/mol
LogP9.84
Rot. Bonds6

About 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine

7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine (PubChem CID 126614086) has the molecular formula C53H54FN9O2 and a molecular weight of 868.07 g/mol. Its IUPAC name is 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
PubChem CID126614086
Molecular FormulaC53H54FN9O2
Molecular Weight868.07 g/mol
Exact Mass867.44
IUPAC Name7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
SMILESCc1ccc(-c2cn3ccc(N4CCOCC4)cc3n2)cc1.Cc1cccc(-c2cn3ccc(N4CCOCC4)cc3n2)c1.F[C@H]1CCN(c2ccn3cc(-c4ccccc4)nc3c2)C1
InChIInChI=1S/2C18H19N3O.C17H16FN3/c1-14-2-4-15(5-3-14)17-13-21-7-6-16(12-18(21)19-17)20-8-10-22-11-9-20;1-14-3-2-4-15(11-14)17-13-21-6-5-16(12-18(21)19-17)20-7-9-22-10-8-20;18-14-6-8-20(11-14)15-7-9-21-12-16(19-17(21)10-15)13-4-2-1-3-5-13/h2-7,12-13H,8-11H2,1H3;2-6,11-13H,7-10H2,1H3;1-5,7,9-10,12,14H,6,8,11H2/t;;14-/m..0/s1
InChIKeyCQALHZCSLIOIQA-JQCTVTDFSA-N
XLogP9.84
TPSA80.08 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.07
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine?
The IUPAC name of 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine (CID 126614086) is 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine.
What is the SMILES notation for 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine?
The canonical SMILES for 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine is Cc1ccc(-c2cn3ccc(N4CCOCC4)cc3n2)cc1.Cc1cccc(-c2cn3ccc(N4CCOCC4)cc3n2)c1.F[C@H]1CCN(c2ccn3cc(-c4ccccc4)nc3c2)C1.
What is the InChIKey of 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine?
The InChIKey is CQALHZCSLIOIQA-JQCTVTDFSA-N. The full InChI is InChI=1S/2C18H19N3O.C17H16FN3/c1-14-2-4-15(5-3-14)17-13-21-7-6-16(12-18(21)19-17)20-8-10-22-11-9-20;1-14-3-2-4-15(11-14)17-13-21-6-5-16(12-18(21)19-17)20-7-9-22-10-8-20;18-14-6-8-20(11-14)15-7-9-21-12-16(19-17(21)10-15)13-4-2-1-3-5-13/h2-7,12-13H,8-11H2,1H3;2-6,11-13H,7-10H2,1H3;1-5,7,9-10,12,14H,6,8,11H2/t;;14-/m..0/s1.
What are the key properties of 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine?
7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine has a molecular weight of 868.07 g/mol, XLogP of 9.84, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-fluoropyrrolidin-1-yl]-2-phenylimidazo[1,2-a]pyridine;4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine;4-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine is sourced from PubChem (CID 126614086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).