1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine

C24H18FN9S — CID 136936951

About 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 136936951) has the molecular formula C24H18FN9S and a molecular weight of 483.54 g/mol. Its IUPAC name is 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-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-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 136936951
• Molecular Formula: C24H18FN9S
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.14
• IUPAC Name: 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: NC1CN(c2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccc(F)s7)nccc6[nH]5)c4c3)n2)C1
• InChI: InChI=1S/C24H18FN9S/c25-19-4-3-18(35-19)23-22-16(5-6-28-23)30-24(31-22)21-14-7-12(1-2-15(14)32-33-21)17-8-27-9-20(29-17)34-10-13(26)11-34/h1-9,13H,10-11,26H2,(H,30,31)(H,32,33)
• InChIKey: HZRJLPGPNQXOAM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 125.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-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-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 136936951) is 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-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-imidazo[4,5-c]pyridin-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-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccc(F)s7)nccc6[nH]5)c4c3)n2)C1.

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

The InChIKey is HZRJLPGPNQXOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN9S/c25-19-4-3-18(35-19)23-22-16(5-6-28-23)30-24(31-22)21-14-7-12(1-2-15(14)32-33-21)17-8-27-9-20(29-17)34-10-13(26)11-34/h1-9,13H,10-11,26H2,(H,30,31)(H,32,33).

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

1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 483.54 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 136936951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).