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

C26H20ClN3O2 — CID 122196405

IUPAC6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one
SMILESCn1ccc2nc(COc3ccc(-c4ccc(=O)[nH]c4-c4ccc(Cl)cc4)cc3)ccc21
InChIInChI=1S/C26H20ClN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31)
InChIKeyNMVQIPZAOQNTHG-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.83
Rot. Bonds5

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

6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one (PubChem CID 122196405) has the molecular formula C26H20ClN3O2 and a molecular weight of 441.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one
PubChem CID122196405
Molecular FormulaC26H20ClN3O2
Molecular Weight441.92 g/mol
Exact Mass441.12
IUPAC Name6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one
SMILESCn1ccc2nc(COc3ccc(-c4ccc(=O)[nH]c4-c4ccc(Cl)cc4)cc3)ccc21
InChIInChI=1S/C26H20ClN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31)
InChIKeyNMVQIPZAOQNTHG-UHFFFAOYSA-N
XLogP5.83
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one (CID 122196405) is 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one is Cn1ccc2nc(COc3ccc(-c4ccc(=O)[nH]c4-c4ccc(Cl)cc4)cc3)ccc21.
What is the InChIKey of 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one?
The InChIKey is NMVQIPZAOQNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31).
What are the key properties of 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one?
6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one has a molecular weight of 441.92 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[4-[(1-methylpyrrolo[3,2-b]pyridin-5-yl)methoxy]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).