1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate

C106H98F5N29O12S4 — CID 159659589

About 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate

1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate (PubChem CID 159659589) has the molecular formula C106H98F5N29O12S4 and a molecular weight of 2193.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate
• PubChem CID: 159659589
• Molecular Formula: C106H98F5N29O12S4
• Molecular Weight: 2193.40 g/mol
• Exact Mass: 2191.68
• IUPAC Name: 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)cs1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)cs1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)cs1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(N(C)CCO)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cn(S(C)(=O)=O)cn1
• InChI: InChI=1S/C24H25FN6O2.C21H19FN6O2S.C21H18FN5O3S.C20H19FN6O3S.C20H17FN6O2S/c1-3-21(16-8-9-27-23(12-16)30(2)10-11-32)29-24(33)20-13-26-15-22-19(20)14-28-31(22)18-6-4-17(25)5-7-18;1-3-16(21-27-17(11-31-21)20(30)23-2)26-19(29)15-8-24-10-18-14(15)9-25-28(18)13-6-4-12(22)5-7-13;1-3-16(20-26-17(11-31-20)21(29)30-2)25-19(28)15-8-23-10-18-14(15)9-24-27(18)13-6-4-12(22)5-7-13;1-3-17(18-11-26(12-23-18)31(2,29)30)25-20(28)16-8-22-10-19-15(16)9-24-27(19)14-6-4-13(21)5-7-14;1-2-15(20-26-16(10-30-20)18(22)28)25-19(29)14-7-23-9-17-13(14)8-24-27(17)12-5-3-11(21)4-6-12/h4-9,12-15,21,32H,3,10-11H2,1-2H3,(H,29,33);4-11,16H,3H2,1-2H3,(H,23,30)(H,26,29);4-11,16H,3H2,1-2H3,(H,25,28);4-12,17H,3H2,1-2H3,(H,25,28);3-10,15H,2H2,1H3,(H2,22,28)(H,25,29)/t21-;;;17-;/m0..0./s1
• InChIKey: MSPZKNGTRKWMAP-BHZCKKOHSA-N
• XLogP: 15.65
• TPSA: 524.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.40
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate?

The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate (CID 159659589) is 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)cs1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)cs1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)cs1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(N(C)CCO)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cn(S(C)(=O)=O)cn1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate?

The InChIKey is MSPZKNGTRKWMAP-BHZCKKOHSA-N. The full InChI is InChI=1S/C24H25FN6O2.C21H19FN6O2S.C21H18FN5O3S.C20H19FN6O3S.C20H17FN6O2S/c1-3-21(16-8-9-27-23(12-16)30(2)10-11-32)29-24(33)20-13-26-15-22-19(20)14-28-31(22)18-6-4-17(25)5-7-18;1-3-16(21-27-17(11-31-21)20(30)23-2)26-19(29)15-8-24-10-18-14(15)9-25-28(18)13-6-4-12(22)5-7-13;1-3-16(20-26-17(11-31-20)21(29)30-2)25-19(28)15-8-23-10-18-14(15)9-24-27(18)13-6-4-12(22)5-7-13;1-3-17(18-11-26(12-23-18)31(2,29)30)25-20(28)16-8-22-10-19-15(16)9-24-27(19)14-6-4-13(21)5-7-14;1-2-15(20-26-16(10-30-20)18(22)28)25-19(29)14-7-23-9-17-13(14)8-24-27(17)12-5-3-11(21)4-6-12/h4-9,12-15,21,32H,3,10-11H2,1-2H3,(H,29,33);4-11,16H,3H2,1-2H3,(H,23,30)(H,26,29);4-11,16H,3H2,1-2H3,(H,25,28);4-12,17H,3H2,1-2H3,(H,25,28);3-10,15H,2H2,1H3,(H2,22,28)(H,25,29)/t21-;;;17-;/m0..0./s1.

What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate?

1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate has a molecular weight of 2193.40 g/mol, XLogP of 15.65, 32 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[(1S)-1-[2-[2-hydroxyethyl(methyl)amino]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1-methylsulfonylimidazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide;2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159659589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).