5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

C₁₈H₁₉N₇O — CID 156781805

About 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781805) has the molecular formula C₁₈H₁₉N₇O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

• Compound Name: 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
• PubChem CID: 156781805
• Molecular Formula: C₁₈H₁₉N₇O
• Molecular Weight: 349.40 g/mol
• Exact Mass: 349.17
• IUPAC Name: 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
• SMILES: C/C(=N\c1cnn(C)c1)c1c(O)[nH]c2cnc(-c3cnn(C)c3C)cc12
• InChI: InChI=1S/C18H19N7O/c1-10(22-12-6-20-24(3)9-12)17-13-5-15(14-7-21-25(4)11(14)2)19-8-16(13)23-18(17)26/h5-9,23,26H,1-4H3/b22-10+
• InChIKey: YRDRRCDBFZRICQ-LSHDLFTRSA-N
• XLogP: 2.85
• TPSA: 96.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.40
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?

The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781805) is 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.

What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?

The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1cnn(C)c1)c1c(O)[nH]c2cnc(-c3cnn(C)c3C)cc12.

What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?

The InChIKey is YRDRRCDBFZRICQ-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10(22-12-6-20-24(3)9-12)17-13-5-15(14-7-21-25(4)11(14)2)19-8-16(13)23-18(17)26/h5-9,23,26H,1-4H3/b22-10+.

What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?

5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156781805 — identifiers, structure, computed properties (public domain)

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