2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C19H18FN5O2 — CID 155210822

IUPAC2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(N)Cc2ccc(Oc3ccnc4[nH]cc(C)c34)c(F)c2)n1
InChIInChI=1S/C19H18FN5O2/c1-10-9-23-18-17(10)16(5-6-22-18)26-15-4-3-12(7-13(15)20)8-14(21)19-24-11(2)25-27-19/h3-7,9,14H,8,21H2,1-2H3,(H,22,23)
InChIKeyWJZYRESSYJZDQZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.74
Rot. Bonds5

About 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 155210822) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID155210822
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(N)Cc2ccc(Oc3ccnc4[nH]cc(C)c34)c(F)c2)n1
InChIInChI=1S/C19H18FN5O2/c1-10-9-23-18-17(10)16(5-6-22-18)26-15-4-3-12(7-13(15)20)8-14(21)19-24-11(2)25-27-19/h3-7,9,14H,8,21H2,1-2H3,(H,22,23)
InChIKeyWJZYRESSYJZDQZ-UHFFFAOYSA-N
XLogP3.74
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 155210822) is 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(C(N)Cc2ccc(Oc3ccnc4[nH]cc(C)c34)c(F)c2)n1.
What is the InChIKey of 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is WJZYRESSYJZDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-10-9-23-18-17(10)16(5-6-22-18)26-15-4-3-12(7-13(15)20)8-14(21)19-24-11(2)25-27-19/h3-7,9,14H,8,21H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 367.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 155210822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).