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

C24H18N4O2 — CID 122196403

IUPAC6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C24H18N4O2/c29-23-8-6-20(24(28-23)17-9-12-25-13-10-17)16-1-4-19(5-2-16)30-15-18-3-7-21-22(27-18)11-14-26-21/h1-14,26H,15H2,(H,28,29)
InChIKeyUXXCEOHGXHKBFA-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.56
Rot. Bonds5

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

6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 122196403) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
PubChem CID122196403
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C24H18N4O2/c29-23-8-6-20(24(28-23)17-9-12-25-13-10-17)16-1-4-19(5-2-16)30-15-18-3-7-21-22(27-18)11-14-26-21/h1-14,26H,15H2,(H,28,29)
InChIKeyUXXCEOHGXHKBFA-UHFFFAOYSA-N
XLogP4.56
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one (CID 122196403) is 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is UXXCEOHGXHKBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23-8-6-20(24(28-23)17-9-12-25-13-10-17)16-1-4-19(5-2-16)30-15-18-3-7-21-22(27-18)11-14-26-21/h1-14,26H,15H2,(H,28,29).
What are the key properties of 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one?
6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 394.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-5-[4-(1H-pyrrolo[3,2-b]pyridin-5-ylmethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).