1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine

C26H20FN7S — CID 137310718

About 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 137310718) has the molecular formula C26H20FN7S and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 137310718
• Molecular Formula: C26H20FN7S
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.15
• IUPAC Name: 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: NC1CN(c2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccc(F)s7)cccc6[nH]5)c4c3)n2)C1
• InChI: InChI=1S/C26H20FN7S/c27-24-7-6-23(35-24)16-2-1-3-19-17(16)9-21(30-19)26-18-8-14(4-5-20(18)32-33-26)22-10-29-11-25(31-22)34-12-15(28)13-34/h1-11,15,30H,12-13,28H2,(H,32,33)
• InChIKey: XHEIPOBDOYGFOI-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 99.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine?

The IUPAC name of 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 137310718) is 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine.

What is the SMILES notation for 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine?

The canonical SMILES for 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccc(F)s7)cccc6[nH]5)c4c3)n2)C1.

What is the InChIKey of 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine?

The InChIKey is XHEIPOBDOYGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7S/c27-24-7-6-23(35-24)16-2-1-3-19-17(16)9-21(30-19)26-18-8-14(4-5-20(18)32-33-26)22-10-29-11-25(31-22)34-12-15(28)13-34/h1-11,15,30H,12-13,28H2,(H,32,33).

What are the key properties of 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine?

1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 481.56 g/mol, XLogP of 5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 137310718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).