6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C₂₂H₁₈N₄O — CID 175615945

About 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615945) has the molecular formula C₂₂H₁₈N₄O and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 175615945
• Molecular Formula: C₂₂H₁₈N₄O
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.15
• IUPAC Name: 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: Cn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc21
• InChI: InChI=1S/C22H18N4O/c1-25-21-9-8-17(11-18(21)12-24-25)16-6-4-15(5-7-16)13-26-14-20-19(22(26)27)3-2-10-23-20/h2-12H,13-14H2,1H3
• InChIKey: FHDGIVVHHUTJQD-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615945) is 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc21.

What is the InChIKey of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is FHDGIVVHHUTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-25-21-9-8-17(11-18(21)12-24-25)16-6-4-15(5-7-16)13-26-14-20-19(22(26)27)3-2-10-23-20/h2-12H,13-14H2,1H3.

What are the key properties of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 354.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175615945 — identifiers, structure, computed properties (public domain)

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