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

C25H26FN9 — CID 137102026

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

1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137102026) has the molecular formula C25H26FN9 and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 137102026
• Molecular Formula: C25H26FN9
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.23
• IUPAC Name: 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• SMILES: CN(C)Cc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C25H26FN9/c1-34(2)14-15-10-16(12-27-11-15)21-20(26)19-17(13-29-21)32-33-23(19)25-30-22-18(6-7-28-24(22)31-25)35-8-4-3-5-9-35/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,32,33)(H,28,30,31)
• InChIKey: FSGHUBOBMYJQHW-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 102.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137102026) is 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

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

The canonical SMILES for 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3c2F)c1.

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

The InChIKey is FSGHUBOBMYJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9/c1-34(2)14-15-10-16(12-27-11-15)21-20(26)19-17(13-29-21)32-33-23(19)25-30-22-18(6-7-28-24(22)31-25)35-8-4-3-5-9-35/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,32,33)(H,28,30,31).

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

1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 471.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137102026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).