1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate

C99H102N22O13S4 — CID 158574000

About 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate

1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate (PubChem CID 158574000) has the molecular formula C99H102N22O13S4 and a molecular weight of 1936.31 g/mol. Its IUPAC name is 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate.

Molecular Properties

• Compound Name: 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate
• PubChem CID: 158574000
• Molecular Formula: C99H102N22O13S4
• Molecular Weight: 1936.31 g/mol
• Exact Mass: 1934.69
• IUPAC Name: 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate
• SMILES: CCOC(=O)C1(c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.CN(C)C(=O)C1(c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.CN(C)CC1(c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.COC(=O)Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
• InChI: InChI=1S/C25H26N6O3S.C25H28N6O2S.C25H25N5O4S.C24H23N5O4S/c1-30(2)24(32)25(13-14-25)20-15-19(21-22(26)28-31(3)23(21)27-20)16-9-11-17(12-10-16)29-35(33,34)18-7-5-4-6-8-18;1-30(2)16-25(13-14-25)21-15-20(22-23(26)28-31(3)24(22)27-21)17-9-11-18(12-10-17)29-34(32,33)19-7-5-4-6-8-19;1-3-34-24(31)25(13-14-25)20-15-19(21-22(26)28-30(2)23(21)27-20)16-9-11-17(12-10-16)29-35(32,33)18-7-5-4-6-8-18;1-33-21(30)14-29-24-22(23(25)27-29)19(13-20(26-24)16-7-8-16)15-9-11-17(12-10-15)28-34(31,32)18-5-3-2-4-6-18/h4-12,15,29H,13-14H2,1-3H3,(H2,26,28);4-12,15,29H,13-14,16H2,1-3H3,(H2,26,28);4-12,15,29H,3,13-14H2,1-2H3,(H2,26,28);2-6,9-13,16,28H,7-8,14H2,1H3,(H2,25,27)
• InChIKey: HSKYOHWGUDLJOC-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 487.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1936.31
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate?

The IUPAC name of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate (CID 158574000) is 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate.

What is the SMILES notation for 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate?

The canonical SMILES for 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate is CCOC(=O)C1(c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.CN(C)C(=O)C1(c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.CN(C)CC1(c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.COC(=O)Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.

What is the InChIKey of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate?

The InChIKey is HSKYOHWGUDLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S.C25H28N6O2S.C25H25N5O4S.C24H23N5O4S/c1-30(2)24(32)25(13-14-25)20-15-19(21-22(26)28-31(3)23(21)27-20)16-9-11-17(12-10-16)29-35(33,34)18-7-5-4-6-8-18;1-30(2)16-25(13-14-25)21-15-20(22-23(26)28-31(3)24(22)27-21)17-9-11-18(12-10-17)29-34(32,33)19-7-5-4-6-8-19;1-3-34-24(31)25(13-14-25)20-15-19(21-22(26)28-30(2)23(21)27-20)16-9-11-17(12-10-16)29-35(32,33)18-7-5-4-6-8-18;1-33-21(30)14-29-24-22(23(25)27-29)19(13-20(26-24)16-7-8-16)15-9-11-17(12-10-15)28-34(31,32)18-5-3-2-4-6-18/h4-12,15,29H,13-14H2,1-3H3,(H2,26,28);4-12,15,29H,13-14,16H2,1-3H3,(H2,26,28);4-12,15,29H,3,13-14H2,1-2H3,(H2,26,28);2-6,9-13,16,28H,7-8,14H2,1H3,(H2,25,27).

What are the key properties of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate?

1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate has a molecular weight of 1936.31 g/mol, XLogP of 13.89, 27 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;ethyl 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate;methyl 2-[3-amino-4-[4-(benzenesulfonamido)phenyl]-6-cyclopropylpyrazolo[5,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 158574000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).