2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

C28H24FN7O — CID 138603485

About 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 138603485) has the molecular formula C28H24FN7O and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
• PubChem CID: 138603485
• Molecular Formula: C28H24FN7O
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.20
• IUPAC Name: 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
• SMILES: CN(C)CCOc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C28H24FN7O/c1-36(2)9-10-37-20-11-18(14-30-15-20)24-13-23-26(16-32-24)34-35-27(23)25-12-22-21(7-8-31-28(22)33-25)17-3-5-19(29)6-4-17/h3-8,11-16H,9-10H2,1-2H3,(H,31,33)(H,34,35)
• InChIKey: GRFQNDWPACGLFW-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?

The IUPAC name of 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (CID 138603485) is 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?

The canonical SMILES for 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)ccnc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?

The InChIKey is GRFQNDWPACGLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O/c1-36(2)9-10-37-20-11-18(14-30-15-20)24-13-23-26(16-32-24)34-35-27(23)25-12-22-21(7-8-31-28(22)33-25)17-3-5-19(29)6-4-17/h3-8,11-16H,9-10H2,1-2H3,(H,31,33)(H,34,35).

What are the key properties of 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?

2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 493.55 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 138603485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).