3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine

C30H29FN8 — CID 145035447

About 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine

3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine (PubChem CID 145035447) has the molecular formula C30H29FN8 and a molecular weight of 520.62 g/mol. Its IUPAC name is 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine
• PubChem CID: 145035447
• Molecular Formula: C30H29FN8
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.25
• IUPAC Name: 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine
• SMILES: CCc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(F)cc(CCCN(C)C)c6)c5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C30H29FN8/c1-4-18-10-21(16-32-15-18)25-14-24-26(17-34-25)37-38-28(24)30-35-27-23(7-8-33-29(27)36-30)20-11-19(12-22(31)13-20)6-5-9-39(2)3/h7-8,10-17H,4-6,9H2,1-3H3,(H,37,38)(H,33,35,36)
• InChIKey: BICFUFDCYRRHOL-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine (CID 145035447) is 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine.

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

The canonical SMILES for 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine is CCc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(F)cc(CCCN(C)C)c6)c5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine?

The InChIKey is BICFUFDCYRRHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN8/c1-4-18-10-21(16-32-15-18)25-14-24-26(17-34-25)37-38-28(24)30-35-27-23(7-8-33-29(27)36-30)20-11-19(12-22(31)13-20)6-5-9-39(2)3/h7-8,10-17H,4-6,9H2,1-3H3,(H,37,38)(H,33,35,36).

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

3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 520.62 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[5-(5-ethyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145035447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).