2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde

C19H19N5O3 — CID 174731524

About 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde

2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 174731524) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde
• PubChem CID: 174731524
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde
• SMILES: COc1cc(-c2nc3c(cc2C)C(C=O)N(c2cn[nH]c2)C3)cnc1OC
• InChI: InChI=1S/C19H19N5O3/c1-11-4-14-15(9-24(16(14)10-25)13-7-21-22-8-13)23-18(11)12-5-17(26-2)19(27-3)20-6-12/h4-8,10,16H,9H2,1-3H3,(H,21,22)
• InChIKey: WSAZCYFYMALDMS-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 93.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?

The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde (CID 174731524) is 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde.

What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?

The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde is COc1cc(-c2nc3c(cc2C)C(C=O)N(c2cn[nH]c2)C3)cnc1OC.

What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?

The InChIKey is WSAZCYFYMALDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-4-14-15(9-24(16(14)10-25)13-7-21-22-8-13)23-18(11)12-5-17(26-2)19(27-3)20-6-12/h4-8,10,16H,9H2,1-3H3,(H,21,22).

What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?

2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 365.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethoxy-3-pyridinyl)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 174731524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).