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

C25H20FN9 — CID 137055874

About 1-[5-[4-fluoro-3-(7-pyridin-3-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-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137055874) has the molecular formula C25H20FN9 and a molecular weight of 465.50 g/mol. Its IUPAC name is 1-[5-[4-fluoro-3-(7-pyridin-3-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-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 137055874
• Molecular Formula: C25H20FN9
• Molecular Weight: 465.50 g/mol
• Exact Mass: 465.18
• IUPAC Name: 1-[5-[4-fluoro-3-(7-pyridin-3-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(-c6cccnc6)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C25H20FN9/c1-35(2)13-14-8-16(11-28-9-14)21-20(26)19-18(12-30-21)33-34-23(19)25-31-22-17(5-7-29-24(22)32-25)15-4-3-6-27-10-15/h3-12H,13H2,1-2H3,(H,33,34)(H,29,31,32)
• InChIKey: UITMKWLADOHUPB-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 112.16 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	465.50
LogP ≤ 5	4.22
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-pyridin-3-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-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137055874) is 1-[5-[4-fluoro-3-(7-pyridin-3-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-pyridin-3-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-pyridin-3-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(-c6cccnc6)c5[nH]4)c3c2F)c1.

What is the InChIKey of 1-[5-[4-fluoro-3-(7-pyridin-3-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 UITMKWLADOHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN9/c1-35(2)13-14-8-16(11-28-9-14)21-20(26)19-18(12-30-21)33-34-23(19)25-31-22-17(5-7-29-24(22)32-25)15-4-3-6-27-10-15/h3-12H,13H2,1-2H3,(H,33,34)(H,29,31,32).

What are the key properties of 1-[5-[4-fluoro-3-(7-pyridin-3-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-pyridin-3-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 465.50 g/mol, XLogP of 4.22, 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-pyridin-3-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 137055874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).