2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate

C47H49F2N11O9 — CID 159086330

About 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate (PubChem CID 159086330) has the molecular formula C47H49F2N11O9 and a molecular weight of 949.97 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate
• PubChem CID: 159086330
• Molecular Formula: C47H49F2N11O9
• Molecular Weight: 949.97 g/mol
• Exact Mass: 949.37
• IUPAC Name: 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate
• SMILES: C.C.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)OC)c(C)o1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)c(C)o1
• InChI: InChI=1S/C24H23FN6O5.C21H18FN5O4.2CH4/c1-4-18(24-30-21(13(2)36-24)23(34)27-12-20(32)35-3)29-22(33)17-9-26-11-19-16(17)10-28-31(19)15-7-5-14(25)6-8-15;1-3-16(20-26-18(21(29)30)11(2)31-20)25-19(28)15-8-23-10-17-14(15)9-24-27(17)13-6-4-12(22)5-7-13;;/h5-11,18H,4,12H2,1-3H3,(H,27,34)(H,29,33);4-10,16H,3H2,1-2H3,(H,25,28)(H,29,30);2*1H4
• InChIKey: KBMIPICTRKWWBP-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 264.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.97
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?

The IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate (CID 159086330) is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate.

What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?

The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate is C.C.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)OC)c(C)o1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)c(C)o1.

What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?

The InChIKey is KBMIPICTRKWWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O5.C21H18FN5O4.2CH4/c1-4-18(24-30-21(13(2)36-24)23(34)27-12-20(32)35-3)29-22(33)17-9-26-11-19-16(17)10-28-31(19)15-7-5-14(25)6-8-15;1-3-16(20-26-18(21(29)30)11(2)31-20)25-19(28)15-8-23-10-17-14(15)9-24-27(17)13-6-4-12(22)5-7-13;;/h5-11,18H,4,12H2,1-3H3,(H,27,34)(H,29,33);4-10,16H,3H2,1-2H3,(H,25,28)(H,29,30);2*1H4.

What are the key properties of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate has a molecular weight of 949.97 g/mol, XLogP of 7.35, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylic acid;methane;methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 159086330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).