6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C121H137FN26O18 — CID 158978511

IUPAC6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.CCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1NCC.CNCCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.COCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NCCCN(C)C)cc2)CC3)cc1
InChIInChI=1S/C25H30N6O3.C25H29N5O4.C24H27N5O4.C24H27N5O3.C23H24FN5O4/c1-29(2)15-4-14-27-17-5-7-18(8-6-17)30-16-13-21-22(24(26)32)28-31(23(21)25(30)33)19-9-11-20(34-3)12-10-19;1-4-14-34-21-11-8-17(15-20(21)27-5-2)29-13-12-19-22(24(26)31)28-30(23(19)25(29)32)16-6-9-18(33-3)10-7-16;1-26-13-3-15-33-19-10-4-16(5-11-19)28-14-12-20-21(23(25)30)27-29(22(20)24(28)31)17-6-8-18(32-2)9-7-17;1-3-4-14-26-16-5-7-17(8-6-16)28-15-13-20-21(23(25)30)27-29(22(20)24(28)31)18-9-11-19(32-2)12-10-18;1-32-12-10-26-19-8-5-15(13-18(19)24)28-11-9-17-20(22(25)30)27-29(21(17)23(28)31)14-3-6-16(33-2)7-4-14/h5-12,27H,4,13-16H2,1-3H3,(H2,26,32);6-11,15,27H,4-5,12-14H2,1-3H3,(H2,26,31);4-11,26H,3,12-15H2,1-2H3,(H2,25,30);5-12,26H,3-4,13-15H2,1-2H3,(H2,25,30);3-8,13,26H,9-12H2,1-2H3,(H2,25,30)
InChIKeyJORRTLCLAPNQBS-UHFFFAOYSA-N
MW2262.59 g/mol
LogP13.90
Rot. Bonds43

About 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 158978511) has the molecular formula C121H137FN26O18 and a molecular weight of 2262.59 g/mol. Its IUPAC name is 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID158978511
Molecular FormulaC121H137FN26O18
Molecular Weight2262.59 g/mol
Exact Mass2261.06
IUPAC Name6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.CCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1NCC.CNCCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.COCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NCCCN(C)C)cc2)CC3)cc1
InChIInChI=1S/C25H30N6O3.C25H29N5O4.C24H27N5O4.C24H27N5O3.C23H24FN5O4/c1-29(2)15-4-14-27-17-5-7-18(8-6-17)30-16-13-21-22(24(26)32)28-31(23(21)25(30)33)19-9-11-20(34-3)12-10-19;1-4-14-34-21-11-8-17(15-20(21)27-5-2)29-13-12-19-22(24(26)31)28-30(23(19)25(29)32)16-6-9-18(33-3)10-7-16;1-26-13-3-15-33-19-10-4-16(5-11-19)28-14-12-20-21(23(25)30)27-29(22(20)24(28)31)17-6-8-18(32-2)9-7-17;1-3-4-14-26-16-5-7-17(8-6-16)28-15-13-20-21(23(25)30)27-29(22(20)24(28)31)18-9-11-19(32-2)12-10-18;1-32-12-10-26-19-8-5-15(13-18(19)24)28-11-9-17-20(22(25)30)27-29(21(17)23(28)31)14-3-6-16(33-2)7-4-14/h5-12,27H,4,13-16H2,1-3H3,(H2,26,32);6-11,15,27H,4-5,12-14H2,1-3H3,(H2,26,31);4-11,26H,3,12-15H2,1-2H3,(H2,25,30);5-12,26H,3-4,13-15H2,1-2H3,(H2,25,30);3-8,13,26H,9-12H2,1-2H3,(H2,25,30)
InChIKeyJORRTLCLAPNQBS-UHFFFAOYSA-N
XLogP13.90
TPSA543.33 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds43
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002262.59
LogP ≤ 513.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 158978511) is 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.CCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1NCC.CNCCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.COCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NCCCN(C)C)cc2)CC3)cc1.
What is the InChIKey of 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is JORRTLCLAPNQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3.C25H29N5O4.C24H27N5O4.C24H27N5O3.C23H24FN5O4/c1-29(2)15-4-14-27-17-5-7-18(8-6-17)30-16-13-21-22(24(26)32)28-31(23(21)25(30)33)19-9-11-20(34-3)12-10-19;1-4-14-34-21-11-8-17(15-20(21)27-5-2)29-13-12-19-22(24(26)31)28-30(23(19)25(29)32)16-6-9-18(33-3)10-7-16;1-26-13-3-15-33-19-10-4-16(5-11-19)28-14-12-20-21(23(25)30)27-29(22(20)24(28)31)17-6-8-18(32-2)9-7-17;1-3-4-14-26-16-5-7-17(8-6-16)28-15-13-20-21(23(25)30)27-29(22(20)24(28)31)18-9-11-19(32-2)12-10-18;1-32-12-10-26-19-8-5-15(13-18(19)24)28-11-9-17-20(22(25)30)27-29(21(17)23(28)31)14-3-6-16(33-2)7-4-14/h5-12,27H,4,13-16H2,1-3H3,(H2,26,32);6-11,15,27H,4-5,12-14H2,1-3H3,(H2,26,31);4-11,26H,3,12-15H2,1-2H3,(H2,25,30);5-12,26H,3-4,13-15H2,1-2H3,(H2,25,30);3-8,13,26H,9-12H2,1-2H3,(H2,25,30).
What are the key properties of 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 2262.59 g/mol, XLogP of 13.90, 43 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(butylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-(ethylamino)-4-propoxyphenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 158978511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).