ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C108H100F5N29O15S4 — CID 159150464

About ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 159150464) has the molecular formula C108H100F5N29O15S4 and a molecular weight of 2267.43 g/mol. Its IUPAC name is ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 159150464
• Molecular Formula: C108H100F5N29O15S4
• Molecular Weight: 2267.43 g/mol
• Exact Mass: 2265.68
• IUPAC Name: ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CCOC(=O)Cn1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1csc(S(C)(=O)=O)c1.CN(c1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1)S(C)(=O)=O.COc1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.O=C(NCc1cnc(N2CCOCC2)nc1)c1cncc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C23H23FN6O3.C22H20FN7O2.C22H20FN5O4S.C21H19FN4O3S2.C20H18FN7O3S/c1-3-20(15-9-26-29(13-15)14-22(31)33-4-2)28-23(32)19-10-25-12-21-18(19)11-27-30(21)17-7-5-16(24)6-8-17;23-16-1-3-17(4-2-16)30-20-14-24-12-19(18(20)13-28-30)21(31)25-9-15-10-26-22(27-11-15)29-5-7-32-8-6-29;1-13(14-8-20(32-2)27-21(9-14)33(3,30)31)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16;1-3-18(13-8-20(30-12-13)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)15-6-4-14(22)5-7-15;1-27(32(2,30)31)20-24-8-13(9-25-20)7-23-19(29)17-10-22-12-18-16(17)11-26-28(18)15-5-3-14(21)4-6-15/h5-13,20H,3-4,14H2,1-2H3,(H,28,32);1-4,10-14H,5-9H2,(H,25,31);4-13H,1-3H3,(H,26,29);4-12,18H,3H2,1-2H3,(H,25,27);3-6,8-12H,7H2,1-2H3,(H,23,29)/t20-;;13-;18-;/m0.00./s1
• InChIKey: KJFHDMWWAXCRET-PQCCLMPISA-N
• XLogP: 13.76
• TPSA: 534.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.43
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 159150464) is ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCOC(=O)Cn1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1csc(S(C)(=O)=O)c1.CN(c1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1)S(C)(=O)=O.COc1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.O=C(NCc1cnc(N2CCOCC2)nc1)c1cncc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is KJFHDMWWAXCRET-PQCCLMPISA-N. The full InChI is InChI=1S/C23H23FN6O3.C22H20FN7O2.C22H20FN5O4S.C21H19FN4O3S2.C20H18FN7O3S/c1-3-20(15-9-26-29(13-15)14-22(31)33-4-2)28-23(32)19-10-25-12-21-18(19)11-27-30(21)17-7-5-16(24)6-8-17;23-16-1-3-17(4-2-16)30-20-14-24-12-19(18(20)13-28-30)21(31)25-9-15-10-26-22(27-11-15)29-5-7-32-8-6-29;1-13(14-8-20(32-2)27-21(9-14)33(3,30)31)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16;1-3-18(13-8-20(30-12-13)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)15-6-4-14(22)5-7-15;1-27(32(2,30)31)20-24-8-13(9-25-20)7-23-19(29)17-10-22-12-18-16(17)11-26-28(18)15-5-3-14(21)4-6-15/h5-13,20H,3-4,14H2,1-2H3,(H,28,32);1-4,10-14H,5-9H2,(H,25,31);4-13H,1-3H3,(H,26,29);4-12,18H,3H2,1-2H3,(H,25,27);3-6,8-12H,7H2,1-2H3,(H,23,29)/t20-;;13-;18-;/m0.00./s1.

What are the key properties of ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2267.43 g/mol, XLogP of 13.76, 31 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyrazol-1-yl]acetate;1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonylthiophen-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 159150464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).