N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

C30H26F2N8O4 — CID 146432388

About N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 146432388) has the molecular formula C30H26F2N8O4 and a molecular weight of 600.59 g/mol. Its IUPAC name is N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
• PubChem CID: 146432388
• Molecular Formula: C30H26F2N8O4
• Molecular Weight: 600.59 g/mol
• Exact Mass: 600.20
• IUPAC Name: N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
• SMILES: CN(C)C(=O)C1CC(Nc2n[nH]c3nccc(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)c23)C1
• InChI: InChI=1S/C30H26F2N8O4/c1-39(2)29(42)16-13-19(14-16)35-27-25-24(10-11-33-26(25)37-38-27)44-23-8-5-18(15-22(23)32)36-28(41)21-9-12-34-40(30(21)43)20-6-3-17(31)4-7-20/h3-12,15-16,19H,13-14H2,1-2H3,(H,36,41)(H2,33,35,37,38)
• InChIKey: FRVYGPQBLDCWTG-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 147.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.59
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?

The IUPAC name of N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (CID 146432388) is N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is CN(C)C(=O)C1CC(Nc2n[nH]c3nccc(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)c23)C1.

What is the InChIKey of N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?

The InChIKey is FRVYGPQBLDCWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N8O4/c1-39(2)29(42)16-13-19(14-16)35-27-25-24(10-11-33-26(25)37-38-27)44-23-8-5-18(15-22(23)32)36-28(41)21-9-12-34-40(30(21)43)20-6-3-17(31)4-7-20/h3-12,15-16,19H,13-14H2,1-2H3,(H,36,41)(H2,33,35,37,38).

What are the key properties of N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?

N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 600.59 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-[[3-(dimethylcarbamoyl)cyclobutyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 146432388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).