2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

C27H26FN9O — CID 136947456

About 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine (PubChem CID 136947456) has the molecular formula C27H26FN9O and a molecular weight of 511.57 g/mol. Its IUPAC name is 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
• PubChem CID: 136947456
• Molecular Formula: C27H26FN9O
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.22
• IUPAC Name: 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
• SMILES: Cc1ncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)n[nH]c3cn2)n1C
• InChI: InChI=1S/C27H26FN9O/c1-15-30-14-24(37(15)4)21-10-19-22(13-31-21)34-35-26(19)27-32-23-12-29-11-20(25(23)33-27)16-7-17(28)9-18(8-16)38-6-5-36(2)3/h7-14H,5-6H2,1-4H3,(H,32,33)(H,34,35)
• InChIKey: IXNQBRYZQLIRLZ-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 113.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine?

The IUPAC name of 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine (CID 136947456) is 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine?

The canonical SMILES for 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine is Cc1ncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(OCCN(C)C)c6)cncc5[nH]4)n[nH]c3cn2)n1C.

What is the InChIKey of 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine?

The InChIKey is IXNQBRYZQLIRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN9O/c1-15-30-14-24(37(15)4)21-10-19-22(13-31-21)34-35-26(19)27-32-23-12-29-11-20(25(23)33-27)16-7-17(28)9-18(8-16)38-6-5-36(2)3/h7-14H,5-6H2,1-4H3,(H,32,33)(H,34,35).

What are the key properties of 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine?

2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine has a molecular weight of 511.57 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 136947456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).