azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate

C44H46F2N12O8 — CID 159633018

About azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate

azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 159633018) has the molecular formula C44H46F2N12O8 and a molecular weight of 908.92 g/mol. Its IUPAC name is azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate
• PubChem CID: 159633018
• Molecular Formula: C44H46F2N12O8
• Molecular Weight: 908.92 g/mol
• Exact Mass: 908.35
• IUPAC Name: azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)c(C)o1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)c(C)o1.CO.N
• InChI: InChI=1S/C22H20FN5O4.C21H19FN6O3.CH4O.H3N/c1-4-17(21-27-19(12(2)32-21)22(30)31-3)26-20(29)16-9-24-11-18-15(16)10-25-28(18)14-7-5-13(23)6-8-14;1-3-16(21-27-18(19(23)29)11(2)31-21)26-20(30)15-8-24-10-17-14(15)9-25-28(17)13-6-4-12(22)5-7-13;1-2;/h5-11,17H,4H2,1-3H3,(H,26,29);4-10,16H,3H2,1-2H3,(H2,23,29)(H,26,30);2H,1H3;1H3
• InChIKey: HMRCKANNNIGLHH-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 296.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	908.92
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The IUPAC name of azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate (CID 159633018) is azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate.

What is the SMILES notation for azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The canonical SMILES for azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)c(C)o1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)c(C)o1.CO.N.

What is the InChIKey of azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The InChIKey is HMRCKANNNIGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4.C21H19FN6O3.CH4O.H3N/c1-4-17(21-27-19(12(2)32-21)22(30)31-3)26-20(29)16-9-24-11-18-15(16)10-25-28(18)14-7-5-13(23)6-8-14;1-3-16(21-27-18(19(23)29)11(2)31-21)26-20(30)15-8-24-10-17-14(15)9-25-28(17)13-6-4-12(22)5-7-13;1-2;/h5-11,17H,4H2,1-3H3,(H,26,29);4-10,16H,3H2,1-2H3,(H2,23,29)(H,26,30);2H,1H3;1H3.

What are the key properties of azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 908.92 g/mol, XLogP of 6.13, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide;methanol;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 159633018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).