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

C18H18FN3O2 — CID 90412464

IUPAC2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CNCCO3)cc12
InChIInChI=1S/C18H18FN3O2/c1-23-16-3-2-11(19)8-13(16)12-4-5-21-18-14(12)9-15(22-18)17-10-20-6-7-24-17/h2-5,8-9,17,20H,6-7,10H2,1H3,(H,21,22)
InChIKeyNRKRNGWEKWMYTH-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.04
Rot. Bonds3

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

2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine (PubChem CID 90412464) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine
PubChem CID90412464
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CNCCO3)cc12
InChIInChI=1S/C18H18FN3O2/c1-23-16-3-2-11(19)8-13(16)12-4-5-21-18-14(12)9-15(22-18)17-10-20-6-7-24-17/h2-5,8-9,17,20H,6-7,10H2,1H3,(H,21,22)
InChIKeyNRKRNGWEKWMYTH-UHFFFAOYSA-N
XLogP3.04
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.04
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]morpholine?
The IUPAC name of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine (CID 90412464) is 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine.
What is the SMILES notation for 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine?
The canonical SMILES for 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CNCCO3)cc12.
What is the InChIKey of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine?
The InChIKey is NRKRNGWEKWMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-23-16-3-2-11(19)8-13(16)12-4-5-21-18-14(12)9-15(22-18)17-10-20-6-7-24-17/h2-5,8-9,17,20H,6-7,10H2,1H3,(H,21,22).
What are the key properties of 2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine?
2-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]morpholine has a molecular weight of 327.36 g/mol, XLogP of 3.04, 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]morpholine is sourced from PubChem (CID 90412464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).