4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

C21H27FN4O2 — CID 141173677

IUPAC4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
SMILESCOCCCN1c2cccnc2NC1c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C21H27FN4O2/c1-27-11-3-8-26-19-4-2-7-23-20(19)24-21(26)16-5-6-17(18(22)14-16)15-25-9-12-28-13-10-25/h2,4-7,14,21H,3,8-13,15H2,1H3,(H,23,24)
InChIKeyWTYCCHAEJKRDMX-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.02
Rot. Bonds7

About 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (PubChem CID 141173677) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
PubChem CID141173677
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
SMILESCOCCCN1c2cccnc2NC1c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C21H27FN4O2/c1-27-11-3-8-26-19-4-2-7-23-20(19)24-21(26)16-5-6-17(18(22)14-16)15-25-9-12-28-13-10-25/h2,4-7,14,21H,3,8-13,15H2,1H3,(H,23,24)
InChIKeyWTYCCHAEJKRDMX-UHFFFAOYSA-N
XLogP3.02
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848800
N-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848908
4-Methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 59244567
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
CID 67413560
US10513523, Example 11
CID 154732875
2-(4-Fluorophenyl)-7-methyl-5-morpholinoimidazo[1,2-a]pyrimidine
CID 1481912
N-cyclopentyl-2-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 5309477

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (CID 141173677) is 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is COCCCN1c2cccnc2NC1c1ccc(CN2CCOCC2)c(F)c1.
What is the InChIKey of 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The InChIKey is WTYCCHAEJKRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-27-11-3-8-26-19-4-2-7-23-20(19)24-21(26)16-5-6-17(18(22)14-16)15-25-9-12-28-13-10-25/h2,4-7,14,21H,3,8-13,15H2,1H3,(H,23,24).
What are the key properties of 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine has a molecular weight of 386.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[1-(3-methoxypropyl)-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 141173677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).