5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

C32H32FN9 — CID 145039130

About 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 145039130) has the molecular formula C32H32FN9 and a molecular weight of 561.67 g/mol. Its IUPAC name is 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 145039130
• Molecular Formula: C32H32FN9
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.28
• IUPAC Name: 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(F)cc(CCCN7CCCC7)c6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C32H32FN9/c1-41(2)25-15-22(17-34-19-25)23-16-26-29(39-40-31(26)36-18-23)32-37-27-7-8-35-28(30(27)38-32)21-12-20(13-24(33)14-21)6-5-11-42-9-3-4-10-42/h7-8,12-19H,3-6,9-11H2,1-2H3,(H,37,38)(H,36,39,40)
• InChIKey: ADHNAJCALBTIDH-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 102.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

The IUPAC name of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine (CID 145039130) is 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine.

What is the SMILES notation for 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

The canonical SMILES for 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(F)cc(CCCN7CCCC7)c6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

The InChIKey is ADHNAJCALBTIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9/c1-41(2)25-15-22(17-34-19-25)23-16-26-29(39-40-31(26)36-18-23)32-37-27-7-8-35-28(30(27)38-32)21-12-20(13-24(33)14-21)6-5-11-42-9-3-4-10-42/h7-8,12-19H,3-6,9-11H2,1-2H3,(H,37,38)(H,36,39,40).

What are the key properties of 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine?

5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 561.67 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 145039130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).