N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid

C99H83BrF5N23O15S4 — CID 161163878

About N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid

N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 161163878) has the molecular formula C99H83BrF5N23O15S4 and a molecular weight of 2138.06 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid
• PubChem CID: 161163878
• Molecular Formula: C99H83BrF5N23O15S4
• Molecular Weight: 2138.06 g/mol
• Exact Mass: 2135.44
• IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)co1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)co1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(S(C)(=O)=O)o1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(SC)o1.O=C(NCc1ccc(Br)s1)c1cncc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C21H19FN4O4S.C20H18FN5O4S.C20H16FN5O4.C20H18FN5O2S.C18H12BrFN4OS/c1-3-18(20-8-15(12-30-20)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)14-6-4-13(22)5-7-14;1-3-16(18-11-23-20(30-18)31(2,28)29)25-19(27)15-8-22-10-17-14(15)9-24-26(17)13-6-4-12(21)5-7-13;1-2-15(19-25-16(10-30-19)20(28)29)24-18(27)14-7-22-9-17-13(14)8-23-26(17)12-5-3-11(21)4-6-12;1-3-16(18-11-23-20(28-18)29-2)25-19(27)15-8-22-10-17-14(15)9-24-26(17)13-6-4-12(21)5-7-13;19-17-6-5-13(26-17)7-22-18(25)15-8-21-10-16-14(15)9-23-24(16)12-3-1-11(20)2-4-12/h4-12,18H,3H2,1-2H3,(H,25,27);4-11,16H,3H2,1-2H3,(H,25,27);3-10,15H,2H2,1H3,(H,24,27)(H,28,29);4-11,16H,3H2,1-2H3,(H,25,27);1-6,8-10H,7H2,(H,22,25)/t18-;16-;;16-;/m00.0./s1
• InChIKey: UQGUIYPNQNZINW-HLUAASNJSA-N
• XLogP: 17.86
• TPSA: 495.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.06
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?

The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid (CID 161163878) is N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid.

What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?

The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)co1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)co1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(S(C)(=O)=O)o1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(SC)o1.O=C(NCc1ccc(Br)s1)c1cncc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?

The InChIKey is UQGUIYPNQNZINW-HLUAASNJSA-N. The full InChI is InChI=1S/C21H19FN4O4S.C20H18FN5O4S.C20H16FN5O4.C20H18FN5O2S.C18H12BrFN4OS/c1-3-18(20-8-15(12-30-20)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)14-6-4-13(22)5-7-14;1-3-16(18-11-23-20(30-18)31(2,28)29)25-19(27)15-8-22-10-17-14(15)9-24-26(17)13-6-4-12(21)5-7-13;1-2-15(19-25-16(10-30-19)20(28)29)24-18(27)14-7-22-9-17-13(14)8-23-26(17)12-5-3-11(21)4-6-12;1-3-16(18-11-23-20(28-18)29-2)25-19(27)15-8-22-10-17-14(15)9-24-26(17)13-6-4-12(21)5-7-13;19-17-6-5-13(26-17)7-22-18(25)15-8-21-10-16-14(15)9-23-24(16)12-3-1-11(20)2-4-12/h4-12,18H,3H2,1-2H3,(H,25,27);4-11,16H,3H2,1-2H3,(H,25,27);3-10,15H,2H2,1H3,(H,24,27)(H,28,29);4-11,16H,3H2,1-2H3,(H,25,27);1-6,8-10H,7H2,(H,22,25)/t18-;16-;;16-;/m00.0./s1.

What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?

N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 2138.06 g/mol, XLogP of 17.86, 28 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylfuran-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-oxazol-5-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 161163878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).