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

C24H21FN10 — CID 137056496

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

1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137056496) has the molecular formula C24H21FN10 and a molecular weight of 468.50 g/mol. Its IUPAC name is 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 137056496
• Molecular Formula: C24H21FN10
• Molecular Weight: 468.50 g/mol
• Exact Mass: 468.19
• IUPAC Name: 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• SMILES: Cc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CN(C)C)c6)c(F)c45)[nH]c23)cn1
• InChI: InChI=1S/C24H21FN10/c1-13-10-35(12-29-13)17-4-5-27-23-20(17)30-24(31-23)21-18-19(25)16(9-28-22(18)33-32-21)15-6-14(7-26-8-15)11-34(2)3/h4-10,12H,11H2,1-3H3,(H,27,30,31)(H,28,32,33)
• InChIKey: MXOSFKYOZWWTFP-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 117.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.50
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137056496) is 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

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

The canonical SMILES for 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is Cc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CN(C)C)c6)c(F)c45)[nH]c23)cn1.

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

The InChIKey is MXOSFKYOZWWTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN10/c1-13-10-35(12-29-13)17-4-5-27-23-20(17)30-24(31-23)21-18-19(25)16(9-28-22(18)33-32-21)15-6-14(7-26-8-15)11-34(2)3/h4-10,12H,11H2,1-3H3,(H,27,30,31)(H,28,32,33).

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

1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 468.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137056496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).