4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine

C22H20FN3O2S — CID 90226221

IUPAC4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1F
InChIInChI=1S/C22H20FN3O2S/c1-27-20-10-16(26-3-5-28-6-4-26)9-17(21(20)23)19-12-25-22-18(19)8-15(11-24-22)14-2-7-29-13-14/h2,7-13H,3-6H2,1H3,(H,24,25)
InChIKeyCYSXXDHGZYONKX-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.94
Rot. Bonds4

About 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine

4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine (PubChem CID 90226221) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
PubChem CID90226221
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1F
InChIInChI=1S/C22H20FN3O2S/c1-27-20-10-16(26-3-5-28-6-4-26)9-17(21(20)23)19-12-25-22-18(19)8-15(11-24-22)14-2-7-29-13-14/h2,7-13H,3-6H2,1H3,(H,24,25)
InChIKeyCYSXXDHGZYONKX-UHFFFAOYSA-N
XLogP4.94
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 90226220
4-[4-fluoro-2-methoxy-3-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]morpholine;3-[6-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine;4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 157340210
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
N-(2-methoxy-5-morpholin-4-ylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 90226323
4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
CID 118967684
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
CID 142527683
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
CID 146304422
5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 70973836
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
4-[1-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]ethyl]morpholine
CID 90226279

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?
The IUPAC name of 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine (CID 90226221) is 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine is COc1cc(N2CCOCC2)cc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1F.
What is the InChIKey of 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?
The InChIKey is CYSXXDHGZYONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-27-20-10-16(26-3-5-28-6-4-26)9-17(21(20)23)19-12-25-22-18(19)8-15(11-24-22)14-2-7-29-13-14/h2,7-13H,3-6H2,1H3,(H,24,25).
What are the key properties of 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine?
4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine has a molecular weight of 409.49 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine is sourced from PubChem (CID 90226221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).