3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

C26H18FN5O — CID 137369454

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137369454) has the molecular formula C26H18FN5O and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137369454
• Molecular Formula: C26H18FN5O
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.15
• IUPAC Name: 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)cc23)c1
• InChI: InChI=1S/C26H18FN5O/c1-33-18-9-16(8-17(27)10-18)19-5-2-6-22-20(19)11-24(30-22)26-21-12-23(15-4-3-7-28-13-15)29-14-25(21)31-32-26/h2-14,30H,1H3,(H,31,32)
• InChIKey: IRQOMRWARMLCQE-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine (CID 137369454) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cccnc6)cc45)cc23)c1.

What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

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

What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine?

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 435.46 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137369454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).