N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

C32H32FN9 — CID 145038170

About N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145038170) has the molecular formula C32H32FN9 and a molecular weight of 561.67 g/mol. Its IUPAC name is N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145038170
• Molecular Formula: C32H32FN9
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.28
• IUPAC Name: N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CC)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cc(F)cc(CCCN(C)C)c6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C32H32FN9/c1-5-19(2)37-25-14-22(16-34-18-25)23-15-27-29(40-41-30(27)36-17-23)32-38-28-26(8-9-35-31(28)39-32)21-11-20(12-24(33)13-21)7-6-10-42(3)4/h8-9,11-18,37H,2,5-7,10H2,1,3-4H3,(H,35,38,39)(H,36,40,41)
• InChIKey: VCWISROCOUZULC-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 111.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 145038170) is N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is C=C(CC)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cc(F)cc(CCCN(C)C)c6)c5[nH]4)c3c2)c1.

What is the InChIKey of N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is VCWISROCOUZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9/c1-5-19(2)37-25-14-22(16-34-18-25)23-15-27-29(40-41-30(27)36-17-23)32-38-28-26(8-9-35-31(28)39-32)21-11-20(12-24(33)13-21)7-6-10-42(3)4/h8-9,11-18,37H,2,5-7,10H2,1,3-4H3,(H,35,38,39)(H,36,40,41).

What are the key properties of N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 561.67 g/mol, XLogP of 6.59, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145038170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).