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

C30H29FN10O — CID 136937063

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

1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 136937063) has the molecular formula C30H29FN10O and a molecular weight of 564.63 g/mol. Its IUPAC name is 1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-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-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 136937063
• Molecular Formula: C30H29FN10O
• Molecular Weight: 564.63 g/mol
• Exact Mass: 564.25
• IUPAC Name: 1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N7CC(N)C7)n6)cc45)nc23)c1
• InChI: InChI=1S/C30H29FN10O/c1-40(2)7-8-42-21-10-18(9-19(31)12-21)27-29-24(5-6-34-27)36-30(37-29)28-22-11-17(3-4-23(22)38-39-28)25-13-33-14-26(35-25)41-15-20(32)16-41/h3-6,9-14,20H,7-8,15-16,32H2,1-2H3,(H,36,37)(H,38,39)
• InChIKey: JTASIHSVUNMQCX-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 137.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.63
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-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-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 136937063) is 1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-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-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-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-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N7CC(N)C7)n6)cc45)nc23)c1.

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

The InChIKey is JTASIHSVUNMQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN10O/c1-40(2)7-8-42-21-10-18(9-19(31)12-21)27-29-24(5-6-34-27)36-30(37-29)28-22-11-17(3-4-23(22)38-39-28)25-13-33-14-26(35-25)41-15-20(32)16-41/h3-6,9-14,20H,7-8,15-16,32H2,1-2H3,(H,36,37)(H,38,39).

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

1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 564.63 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 136937063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).