3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

C26H29N7O2 — CID 146462731

About 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 146462731) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

• Compound Name: 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
• PubChem CID: 146462731
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
• SMILES: C/C(=N\c1ccn(C2CCN(C3COC3)CC2)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
• InChI: InChI=1S/C26H29N7O2/c1-16-3-7-27-12-21(16)22-11-20-23(13-28-22)30-26(34)25(20)17(2)29-24-6-10-33(31-24)18-4-8-32(9-5-18)19-14-35-15-19/h3,6-7,10-13,18-19,30,34H,4-5,8-9,14-15H2,1-2H3/b29-17+
• InChIKey: GNMBXWHQOVQDAE-STBIYBPSSA-N
• XLogP: 4.01
• TPSA: 104.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 146462731) is 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

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

The canonical SMILES for 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1ccn(C2CCN(C3COC3)CC2)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.

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

The InChIKey is GNMBXWHQOVQDAE-STBIYBPSSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-16-3-7-27-12-21(16)22-11-20-23(13-28-22)30-26(34)25(20)17(2)29-24-6-10-33(31-24)18-4-8-32(9-5-18)19-14-35-15-19/h3,6-7,10-13,18-19,30,34H,4-5,8-9,14-15H2,1-2H3/b29-17+.

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

3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 471.57 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 146462731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).