4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C24H23N3O4 — CID 11524534

IUPAC4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCOCCOc1cccc(-c2cc3cc(NC(=O)c4ccc(OC)cc4)cnc3[nH]2)c1
InChIInChI=1S/C24H23N3O4/c1-29-10-11-31-21-5-3-4-17(13-21)22-14-18-12-19(15-25-23(18)27-22)26-24(28)16-6-8-20(30-2)9-7-16/h3-9,12-15H,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGIRAGORHKOLKLO-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.52
Rot. Bonds8

About 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 11524534) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID11524534
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCOCCOc1cccc(-c2cc3cc(NC(=O)c4ccc(OC)cc4)cnc3[nH]2)c1
InChIInChI=1S/C24H23N3O4/c1-29-10-11-31-21-5-3-4-17(13-21)22-14-18-12-19(15-25-23(18)27-22)26-24(28)16-6-8-20(30-2)9-7-16/h3-9,12-15H,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGIRAGORHKOLKLO-UHFFFAOYSA-N
XLogP4.52
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
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 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 11524534) is 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is COCCOc1cccc(-c2cc3cc(NC(=O)c4ccc(OC)cc4)cnc3[nH]2)c1.
What is the InChIKey of 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is GIRAGORHKOLKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-29-10-11-31-21-5-3-4-17(13-21)22-14-18-12-19(15-25-23(18)27-22)26-24(28)16-6-8-20(30-2)9-7-16/h3-9,12-15H,10-11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 11524534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).