7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one

C65H83F2N25O4 — CID 159329052

About 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one

7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one (PubChem CID 159329052) has the molecular formula C65H83F2N25O4 and a molecular weight of 1316.55 g/mol. Its IUPAC name is 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one.

Molecular Properties

• Compound Name: 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one
• PubChem CID: 159329052
• Molecular Formula: C65H83F2N25O4
• Molecular Weight: 1316.55 g/mol
• Exact Mass: 1315.70
• IUPAC Name: 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one
• SMILES: CC(C)(C)n1cc(F)c2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]ncc21.CC(C)(C)n1cnc2c(NC(=O)c3ccccc3)nncc21.CC(C)(C)n1ncc2c(=O)[nH]ncc21.CNc1ncnc2c1ncn2C(C)(C)C.Cn1cnc2c(c(F)cn2C(C)(C)C)c1=O
• InChI: InChI=1S/C16H17N5O.C11H14FN3O.C10H13FN4.C10H15N5.2C9H12N4O/c1-16(2,3)21-10-17-13-12(21)9-18-20-14(13)19-15(22)11-7-5-4-6-8-11;1-11(2,3)15-5-7(12)8-9(15)13-6-14(4)10(8)16;1-10(2,3)15-4-6(11)7-8(12)13-5-14-9(7)15;1-10(2,3)15-6-14-7-8(11-4)12-5-13-9(7)15;1-9(2,3)13-5-10-7-6(13)4-11-12-8(7)14;1-9(2,3)13-7-5-10-12-8(14)6(7)4-11-13/h4-10H,1-3H3,(H,19,20,22);5-6H,1-4H3;4-5H,1-3H3,(H2,12,13,14);5-6H,1-4H3,(H,11,12,13);2*4-5H,1-3H3,(H,12,14)
• InChIKey: LESVZCUEJFDYOF-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 352.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 3
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1316.55
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one?

The IUPAC name of 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one (CID 159329052) is 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one.

What is the SMILES notation for 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one?

The canonical SMILES for 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one is CC(C)(C)n1cc(F)c2c(N)ncnc21.CC(C)(C)n1cnc2c(=O)[nH]ncc21.CC(C)(C)n1cnc2c(NC(=O)c3ccccc3)nncc21.CC(C)(C)n1ncc2c(=O)[nH]ncc21.CNc1ncnc2c1ncn2C(C)(C)C.Cn1cnc2c(c(F)cn2C(C)(C)C)c1=O.

What is the InChIKey of 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one?

The InChIKey is LESVZCUEJFDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O.C11H14FN3O.C10H13FN4.C10H15N5.2C9H12N4O/c1-16(2,3)21-10-17-13-12(21)9-18-20-14(13)19-15(22)11-7-5-4-6-8-11;1-11(2,3)15-5-7(12)8-9(15)13-6-14(4)10(8)16;1-10(2,3)15-4-6(11)7-8(12)13-5-14-9(7)15;1-10(2,3)15-6-14-7-8(11-4)12-5-13-9(7)15;1-9(2,3)13-5-10-7-6(13)4-11-12-8(7)14;1-9(2,3)13-7-5-10-12-8(14)6(7)4-11-13/h4-10H,1-3H3,(H,19,20,22);5-6H,1-4H3;4-5H,1-3H3,(H2,12,13,14);5-6H,1-4H3,(H,11,12,13);2*4-5H,1-3H3,(H,12,14).

What are the key properties of 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one?

7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one has a molecular weight of 1316.55 g/mol, XLogP of 9.74, 3 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-5-fluoro-3-methylpyrrolo[2,3-d]pyrimidin-4-one;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-d]pyridazin-7-one;N-(1-tert-butylimidazo[4,5-d]pyridazin-4-yl)benzamide;9-tert-butyl-N-methylpurin-6-amine;1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 159329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).