5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

C31H21FN6S — CID 145254712

About 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (PubChem CID 145254712) has the molecular formula C31H21FN6S and a molecular weight of 528.62 g/mol. Its IUPAC name is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• PubChem CID: 145254712
• Molecular Formula: C31H21FN6S
• Molecular Weight: 528.62 g/mol
• Exact Mass: 528.15
• IUPAC Name: 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1
• InChI: InChI=1S/C31H21FN6S/c1-18(19-6-3-2-4-7-19)35-21-12-20(15-33-16-21)26-14-24-28(17-34-26)37-38-31(24)27-13-23-22(8-5-9-25(23)36-27)29-10-11-30(32)39-29/h2-17,35-36H,1H2,(H,37,38)
• InChIKey: LERVJQPGBJTTEP-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.62
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (CID 145254712) is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

What is the SMILES notation for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The canonical SMILES for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.

What is the InChIKey of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The InChIKey is LERVJQPGBJTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN6S/c1-18(19-6-3-2-4-7-19)35-21-12-20(15-33-16-21)26-14-24-28(17-34-26)37-38-31(24)27-13-23-22(8-5-9-25(23)36-27)29-10-11-30(32)39-29/h2-17,35-36H,1H2,(H,37,38).

What are the key properties of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine has a molecular weight of 528.62 g/mol, XLogP of 8.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 145254712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).