3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one

C21H19N3O3 — CID 146627206

IUPAC3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOCCOc1ccc(-c2cn(-c3cccnc3)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H19N3O3/c1-26-11-12-27-17-6-4-15(5-7-17)18-14-24(16-3-2-9-22-13-16)19-8-10-23-21(25)20(18)19/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyRZRZOHYCRNUNHX-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.41
Rot. Bonds6

About 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one

3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146627206) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146627206
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOCCOc1ccc(-c2cn(-c3cccnc3)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H19N3O3/c1-26-11-12-27-17-6-4-15(5-7-17)18-14-24(16-3-2-9-22-13-16)19-8-10-23-21(25)20(18)19/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyRZRZOHYCRNUNHX-UHFFFAOYSA-N
XLogP3.41
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146627206) is 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one is COCCOc1ccc(-c2cn(-c3cccnc3)c3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is RZRZOHYCRNUNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-11-12-27-17-6-4-15(5-7-17)18-14-24(16-3-2-9-22-13-16)19-8-10-23-21(25)20(18)19/h2-10,13-14H,11-12H2,1H3,(H,23,25).
What are the key properties of 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 361.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146627206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).