5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one

C25H20N4O2 — CID 122196406

IUPAC5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one
SMILESCn1ccc2nc(COc3ccc(-c4ccc(=O)[nH]c4-c4ccncc4)cc3)ccc21
InChIInChI=1S/C25H20N4O2/c1-29-15-12-22-23(29)8-4-19(27-22)16-31-20-5-2-17(3-6-20)21-7-9-24(30)28-25(21)18-10-13-26-14-11-18/h2-15H,16H2,1H3,(H,28,30)
InChIKeyKSBYZIGNXVSCPR-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.57
Rot. Bonds5

About 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one

5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 122196406) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one
PubChem CID122196406
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one
SMILESCn1ccc2nc(COc3ccc(-c4ccc(=O)[nH]c4-c4ccncc4)cc3)ccc21
InChIInChI=1S/C25H20N4O2/c1-29-15-12-22-23(29)8-4-19(27-22)16-31-20-5-2-17(3-6-20)21-7-9-24(30)28-25(21)18-10-13-26-14-11-18/h2-15H,16H2,1H3,(H,28,30)
InChIKeyKSBYZIGNXVSCPR-UHFFFAOYSA-N
XLogP4.57
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one (CID 122196406) is 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one is Cn1ccc2nc(COc3ccc(-c4ccc(=O)[nH]c4-c4ccncc4)cc3)ccc21.
What is the InChIKey of 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is KSBYZIGNXVSCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-29-15-12-22-23(29)8-4-19(27-22)16-31-20-5-2-17(3-6-20)21-7-9-24(30)28-25(21)18-10-13-26-14-11-18/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one?
5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 408.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-6-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 122196406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).