2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine

C28H25FN8O — CID 137057058

About 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine

2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 137057058) has the molecular formula C28H25FN8O and a molecular weight of 508.56 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
• PubChem CID: 137057058
• Molecular Formula: C28H25FN8O
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.21
• IUPAC Name: 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
• SMILES: Cc1ccncc1-c1cnc2n[nH]c(-c3nc4nccc(-c5cc(F)cc(OCCN(C)C)c5)c4[nH]3)c2c1
• InChI: InChI=1S/C28H25FN8O/c1-16-4-6-30-15-23(16)18-12-22-25(35-36-26(22)32-14-18)28-33-24-21(5-7-31-27(24)34-28)17-10-19(29)13-20(11-17)38-9-8-37(2)3/h4-7,10-15H,8-9H2,1-3H3,(H,31,33,34)(H,32,35,36)
• InChIKey: RSMCDPJCXMRCSC-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

The IUPAC name of 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine (CID 137057058) is 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

The canonical SMILES for 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine is Cc1ccncc1-c1cnc2n[nH]c(-c3nc4nccc(-c5cc(F)cc(OCCN(C)C)c5)c4[nH]3)c2c1.

What is the InChIKey of 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

The InChIKey is RSMCDPJCXMRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8O/c1-16-4-6-30-15-23(16)18-12-22-25(35-36-26(22)32-14-18)28-33-24-21(5-7-31-27(24)34-28)17-10-19(29)13-20(11-17)38-9-8-37(2)3/h4-7,10-15H,8-9H2,1-3H3,(H,31,33,34)(H,32,35,36).

What are the key properties of 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine?

2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 508.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 137057058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).