3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

C22H24N6O2 — CID 146463162

About 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 146463162) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

• Compound Name: 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
• PubChem CID: 146463162
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
• SMILES: C/C(=N\c1ccn(CC[C@@H](C)O)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
• InChI: InChI=1S/C22H24N6O2/c1-13-4-7-23-11-17(13)18-10-16-19(12-24-18)26-22(30)21(16)15(3)25-20-6-9-28(27-20)8-5-14(2)29/h4,6-7,9-12,14,26,29-30H,5,8H2,1-3H3/b25-15+/t14-/m1/s1
• InChIKey: RRAMTTDSWONZSN-XMWJKPIOSA-N
• XLogP: 3.75
• TPSA: 112.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
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 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?

The IUPAC name of 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 146463162) is 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

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

The canonical SMILES for 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1ccn(CC[C@@H](C)O)n1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.

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

The InChIKey is RRAMTTDSWONZSN-XMWJKPIOSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-13-4-7-23-11-17(13)18-10-16-19(12-24-18)26-22(30)21(16)15(3)25-20-6-9-28(27-20)8-5-14(2)29/h4,6-7,9-12,14,26,29-30H,5,8H2,1-3H3/b25-15+/t14-/m1/s1.

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

3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 404.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 146463162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).