4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one

C25H20N4O — CID 67795441

IUPAC4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2nccc(-c3ccccc3)c2C1(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C25H20N4O/c30-24-25(16-18-6-11-26-12-7-18,17-19-8-13-27-14-9-19)22-21(10-15-28-23(22)29-24)20-4-2-1-3-5-20/h1-15H,16-17H2,(H,28,29,30)
InChIKeyNRQQWMLEACEJDQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.21
Rot. Bonds5

About 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one

4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 67795441) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID67795441
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2nccc(-c3ccccc3)c2C1(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C25H20N4O/c30-24-25(16-18-6-11-26-12-7-18,17-19-8-13-27-14-9-19)22-21(10-15-28-23(22)29-24)20-4-2-1-3-5-20/h1-15H,16-17H2,(H,28,29,30)
InChIKeyNRQQWMLEACEJDQ-UHFFFAOYSA-N
XLogP4.21
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one (CID 67795441) is 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2nccc(-c3ccccc3)c2C1(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is NRQQWMLEACEJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c30-24-25(16-18-6-11-26-12-7-18,17-19-8-13-27-14-9-19)22-21(10-15-28-23(22)29-24)20-4-2-1-3-5-20/h1-15H,16-17H2,(H,28,29,30).
What are the key properties of 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one?
4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 392.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,3-bis(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 67795441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).