5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

C22H16N8O — CID 137489065

About 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137489065) has the molecular formula C22H16N8O and a molecular weight of 408.43 g/mol. Its IUPAC name is 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 137489065
• Molecular Formula: C22H16N8O
• Molecular Weight: 408.43 g/mol
• Exact Mass: 408.14
• IUPAC Name: 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
• SMILES: Cc1cn(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)nc45)cc23)cn1
• InChI: InChI=1S/C22H16N8O/c1-12-10-30(11-25-12)19-4-5-24-22-15(19)7-18(27-22)21-20-17(28-29-21)3-2-16(26-20)13-6-14(31)9-23-8-13/h2-11,31H,1H3,(H,24,27)(H,28,29)
• InChIKey: NAEHHILMKKCWEL-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 121.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.43
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

The IUPAC name of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (CID 137489065) is 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

What is the SMILES notation for 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

The canonical SMILES for 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is Cc1cn(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)nc45)cc23)cn1.

What is the InChIKey of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

The InChIKey is NAEHHILMKKCWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O/c1-12-10-30(11-25-12)19-4-5-24-22-15(19)7-18(27-22)21-20-17(28-29-21)3-2-16(26-20)13-6-14(31)9-23-8-13/h2-11,31H,1H3,(H,24,27)(H,28,29).

What are the key properties of 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol?

5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 408.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137489065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).