5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C17H12N4O — CID 141408563

IUPAC5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc(Oc2ccc(-c3cnc4[nH]ccc4c3)cc2)nc1
InChIInChI=1S/C17H12N4O/c1-7-19-17(20-8-1)22-15-4-2-12(3-5-15)14-10-13-6-9-18-16(13)21-11-14/h1-11H,(H,18,21)
InChIKeyBZAHUDPICVXZMP-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.81
Rot. Bonds3

About 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine

5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141408563) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID141408563
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc(Oc2ccc(-c3cnc4[nH]ccc4c3)cc2)nc1
InChIInChI=1S/C17H12N4O/c1-7-19-17(20-8-1)22-15-4-2-12(3-5-15)14-10-13-6-9-18-16(13)21-11-14/h1-11H,(H,18,21)
InChIKeyBZAHUDPICVXZMP-UHFFFAOYSA-N
XLogP3.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 141408563) is 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine is c1cnc(Oc2ccc(-c3cnc4[nH]ccc4c3)cc2)nc1.
What is the InChIKey of 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BZAHUDPICVXZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-7-19-17(20-8-1)22-15-4-2-12(3-5-15)14-10-13-6-9-18-16(13)21-11-14/h1-11H,(H,18,21).
What are the key properties of 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141408563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).