N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C111H100BrF5N24O13S5 — CID 158317876

About N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 158317876) has the molecular formula C111H100BrF5N24O13S5 and a molecular weight of 2313.40 g/mol. Its IUPAC name is N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 158317876
• Molecular Formula: C111H100BrF5N24O13S5
• Molecular Weight: 2313.40 g/mol
• Exact Mass: 2310.56
• IUPAC Name: N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)[n+]([O-])c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)s1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(O)c(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)nc1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1
• InChI: InChI=1S/C24H23FN6O3S.C23H21FN4O4S.C22H20FN5O4S.C22H20FN5OS.C20H16BrFN4OS/c1-2-21(15-3-10-23(27-11-15)35(33,34)30-17-6-7-17)29-24(32)20-12-26-14-22-19(20)13-28-31(22)18-8-4-16(25)5-9-18;1-3-19(14-4-9-21(29)22(10-14)33(2,31)32)27-23(30)18-11-25-13-20-17(18)12-26-28(20)16-7-5-15(24)6-8-16;1-3-19(14-4-9-21(27(30)13-14)33(2,31)32)26-22(29)18-10-24-12-20-17(18)11-25-28(20)16-7-5-15(23)6-8-16;1-3-19(14-8-9-25-21(10-14)30-2)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2-16(18-7-8-19(21)28-18)25-20(27)15-9-23-11-17-14(15)10-24-26(17)13-5-3-12(22)4-6-13/h3-5,8-14,17,21,30H,2,6-7H2,1H3,(H,29,32);4-13,19,29H,3H2,1-2H3,(H,27,30);4-13,19H,3H2,1-2H3,(H,26,29);4-13,19H,3H2,1-2H3,(H,27,29);3-11,16H,2H2,1H3,(H,25,27)/t21-;19-;;19-;16-/m00.00/s1
• InChIKey: GOMIRQLDYJDNCE-PHIZOPHHSA-N
• XLogP: 19.13
• TPSA: 486.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.40
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 158317876) is N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)[n+]([O-])c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)s1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(O)c(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)nc1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1.

What is the InChIKey of N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is GOMIRQLDYJDNCE-PHIZOPHHSA-N. The full InChI is InChI=1S/C24H23FN6O3S.C23H21FN4O4S.C22H20FN5O4S.C22H20FN5OS.C20H16BrFN4OS/c1-2-21(15-3-10-23(27-11-15)35(33,34)30-17-6-7-17)29-24(32)20-12-26-14-22-19(20)13-28-31(22)18-8-4-16(25)5-9-18;1-3-19(14-4-9-21(29)22(10-14)33(2,31)32)27-23(30)18-11-25-13-20-17(18)12-26-28(20)16-7-5-15(24)6-8-16;1-3-19(14-4-9-21(27(30)13-14)33(2,31)32)26-22(29)18-10-24-12-20-17(18)11-25-28(20)16-7-5-15(23)6-8-16;1-3-19(14-8-9-25-21(10-14)30-2)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2-16(18-7-8-19(21)28-18)25-20(27)15-9-23-11-17-14(15)10-24-26(17)13-5-3-12(22)4-6-13/h3-5,8-14,17,21,30H,2,6-7H2,1H3,(H,29,32);4-13,19,29H,3H2,1-2H3,(H,27,30);4-13,19H,3H2,1-2H3,(H,26,29);4-13,19H,3H2,1-2H3,(H,27,29);3-11,16H,2H2,1H3,(H,25,27)/t21-;19-;;19-;16-/m00.00/s1.

What are the key properties of N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2313.40 g/mol, XLogP of 19.13, 31 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-bromothiophen-2-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[6-(cyclopropylsulfamoyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 158317876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).