2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine

C20H22FN3O2 — CID 90411378

IUPAC2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CNC(C)(C)CO3)cc12
InChIInChI=1S/C20H22FN3O2/c1-20(2)11-26-18(10-23-20)16-9-15-13(6-7-22-19(15)24-16)14-8-12(21)4-5-17(14)25-3/h4-9,18,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyVUCYVFOSXMLKPR-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.82
Rot. Bonds3

About 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine

2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine (PubChem CID 90411378) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
PubChem CID90411378
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CNC(C)(C)CO3)cc12
InChIInChI=1S/C20H22FN3O2/c1-20(2)11-26-18(10-23-20)16-9-15-13(6-7-22-19(15)24-16)14-8-12(21)4-5-17(14)25-3/h4-9,18,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyVUCYVFOSXMLKPR-UHFFFAOYSA-N
XLogP3.82
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
The IUPAC name of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine (CID 90411378) is 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine.
What is the SMILES notation for 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
The canonical SMILES for 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CNC(C)(C)CO3)cc12.
What is the InChIKey of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
The InChIKey is VUCYVFOSXMLKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-20(2)11-26-18(10-23-20)16-9-15-13(6-7-22-19(15)24-16)14-8-12(21)4-5-17(14)25-3/h4-9,18,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine has a molecular weight of 355.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine is sourced from PubChem (CID 90411378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).