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

C25H16FN5O — CID 137111858

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

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 137111858) has the molecular formula C25H16FN5O and a molecular weight of 421.44 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
• PubChem CID: 137111858
• Molecular Formula: C25H16FN5O
• Molecular Weight: 421.44 g/mol
• Exact Mass: 421.13
• IUPAC Name: 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C25H16FN5O/c26-17-3-1-2-15(8-17)19-6-7-28-25-20(19)11-23(29-25)24-21-10-14(4-5-22(21)30-31-24)16-9-18(32)13-27-12-16/h1-13,32H,(H,28,29)(H,30,31)
• InChIKey: PTCZDJOLDTVTSM-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 90.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.44
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 137111858) is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is PTCZDJOLDTVTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5O/c26-17-3-1-2-15(8-17)19-6-7-28-25-20(19)11-23(29-25)24-21-10-14(4-5-22(21)30-31-24)16-9-18(32)13-27-12-16/h1-13,32H,(H,28,29)(H,30,31).

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

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 421.44 g/mol, XLogP of 5.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137111858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).