3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol

C26H18FN5O — CID 137112404

About 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol (PubChem CID 137112404) has the molecular formula C26H18FN5O and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
• PubChem CID: 137112404
• Molecular Formula: C26H18FN5O
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.15
• IUPAC Name: 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(O)cc(F)c5)ccnc4[nH]3)c2c1
• InChI: InChI=1S/C26H18FN5O/c1-14-4-6-28-13-22(14)15-2-3-23-21(10-15)25(32-31-23)24-12-20-19(5-7-29-26(20)30-24)16-8-17(27)11-18(33)9-16/h2-13,33H,1H3,(H,29,30)(H,31,32)
• InChIKey: OINYRWPDRZECOS-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 90.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol (CID 137112404) is 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(O)cc(F)c5)ccnc4[nH]3)c2c1.

What is the InChIKey of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol?

The InChIKey is OINYRWPDRZECOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O/c1-14-4-6-28-13-22(14)15-2-3-23-21(10-15)25(32-31-23)24-12-20-19(5-7-29-26(20)30-24)16-8-17(27)11-18(33)9-16/h2-13,33H,1H3,(H,29,30)(H,31,32).

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

3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol has a molecular weight of 435.46 g/mol, XLogP of 5.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol is sourced from PubChem (CID 137112404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).