6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol

C21H18ClN7O2 — CID 136598811

About 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol

6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol (PubChem CID 136598811) has the molecular formula C21H18ClN7O2 and a molecular weight of 435.88 g/mol. Its IUPAC name is 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol
• PubChem CID: 136598811
• Molecular Formula: C21H18ClN7O2
• Molecular Weight: 435.88 g/mol
• Exact Mass: 435.12
• IUPAC Name: 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol
• SMILES: Cn1cc(-c2cnc3[nH]cc(-c4nnc(C(C)(C)c5cc(Cl)ncc5O)o4)c3c2)cn1
• InChI: InChI=1S/C21H18ClN7O2/c1-21(2,15-5-17(22)23-9-16(15)30)20-28-27-19(31-20)14-8-25-18-13(14)4-11(6-24-18)12-7-26-29(3)10-12/h4-10,30H,1-3H3,(H,24,25)
• InChIKey: UKPPFZKWODFHHL-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 118.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.88
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol?

The IUPAC name of 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol (CID 136598811) is 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol.

What is the SMILES notation for 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol?

The canonical SMILES for 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol is Cn1cc(-c2cnc3[nH]cc(-c4nnc(C(C)(C)c5cc(Cl)ncc5O)o4)c3c2)cn1.

What is the InChIKey of 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol?

The InChIKey is UKPPFZKWODFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O2/c1-21(2,15-5-17(22)23-9-16(15)30)20-28-27-19(31-20)14-8-25-18-13(14)4-11(6-24-18)12-7-26-29(3)10-12/h4-10,30H,1-3H3,(H,24,25).

What are the key properties of 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol?

6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol has a molecular weight of 435.88 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol is sourced from PubChem (CID 136598811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).