1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

C28H26FN5O2 — CID 58532307

IUPAC1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESFc1ccc(Oc2cccc(COn3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc43)c2)cc1
InChIInChI=1S/C28H26FN5O2/c29-23-4-6-25(7-5-23)36-26-3-1-2-20(14-26)19-35-34-13-10-27-28(34)15-21(16-31-27)22-17-32-33(18-22)24-8-11-30-12-9-24/h1-7,10,13-18,24,30H,8-9,11-12,19H2
InChIKeyOGCZEAHBYOORTQ-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.38
Rot. Bonds7

About 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine

1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 58532307) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID58532307
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
SMILESFc1ccc(Oc2cccc(COn3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc43)c2)cc1
InChIInChI=1S/C28H26FN5O2/c29-23-4-6-25(7-5-23)36-26-3-1-2-20(14-26)19-35-34-13-10-27-28(34)15-21(16-31-27)22-17-32-33(18-22)24-8-11-30-12-9-24/h1-7,10,13-18,24,30H,8-9,11-12,19H2
InChIKeyOGCZEAHBYOORTQ-UHFFFAOYSA-N
XLogP5.38
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine (CID 58532307) is 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is Fc1ccc(Oc2cccc(COn3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc43)c2)cc1.
What is the InChIKey of 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is OGCZEAHBYOORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c29-23-4-6-25(7-5-23)36-26-3-1-2-20(14-26)19-35-34-13-10-27-28(34)15-21(16-31-27)22-17-32-33(18-22)24-8-11-30-12-9-24/h1-7,10,13-18,24,30H,8-9,11-12,19H2.
What are the key properties of 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine?
1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 483.55 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenoxy)phenyl]methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58532307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).