6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one

C25H19N3O2 — CID 122196400

IUPAC6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H19N3O2/c29-24-13-11-21(25(28-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(27-19)14-15-26-22/h1-15,26H,16H2,(H,28,29)
InChIKeyFDPZMRRMJOFJJT-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.16
Rot. Bonds5

About 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one

6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 122196400) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
PubChem CID122196400
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H19N3O2/c29-24-13-11-21(25(28-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(27-19)14-15-26-22/h1-15,26H,16H2,(H,28,29)
InChIKeyFDPZMRRMJOFJJT-UHFFFAOYSA-N
XLogP5.16
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one (CID 122196400) is 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is FDPZMRRMJOFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-24-13-11-21(25(28-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(27-19)14-15-26-22/h1-15,26H,16H2,(H,28,29).
What are the key properties of 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 393.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).