1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide

C93H88N20O8S2 — CID 158562288

IUPAC1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Cc4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)c4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3(C(=O)O)CC3)nc21
InChIInChI=1S/C24H23N5O.C23H21N5O4S.C23H23N5O2S.C23H21N5O/c1-29-24-22(23(25)28-29)19(14-20(27-24)17-7-8-17)16-9-11-18(12-10-16)26-21(30)13-15-5-3-2-4-6-15;1-28-21-19(20(24)26-28)17(13-18(25-21)23(11-12-23)22(29)30)14-7-9-15(10-8-14)27-33(31,32)16-5-3-2-4-6-16;1-28-23-21(22(24)26-28)19(13-20(25-23)17-7-8-17)16-9-11-18(12-10-16)27-31(29,30)14-15-5-3-2-4-6-15;1-28-22-20(21(24)27-28)18(13-19(26-22)15-7-8-15)14-9-11-17(12-10-14)25-23(29)16-5-3-2-4-6-16/h2-6,9-12,14,17H,7-8,13H2,1H3,(H2,25,28)(H,26,30);2-10,13,27H,11-12H2,1H3,(H2,24,26)(H,29,30);2-6,9-13,17,27H,7-8,14H2,1H3,(H2,24,26);2-6,9-13,15H,7-8H2,1H3,(H2,24,27)(H,25,29)
InChIKeyHRAOBVJGRQIBSA-UHFFFAOYSA-N
MW1677.99 g/mol
LogP15.79
Rot. Bonds21

About 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide

1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 158562288) has the molecular formula C93H88N20O8S2 and a molecular weight of 1677.99 g/mol. Its IUPAC name is 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID158562288
Molecular FormulaC93H88N20O8S2
Molecular Weight1677.99 g/mol
Exact Mass1676.65
IUPAC Name1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Cc4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)c4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3(C(=O)O)CC3)nc21
InChIInChI=1S/C24H23N5O.C23H21N5O4S.C23H23N5O2S.C23H21N5O/c1-29-24-22(23(25)28-29)19(14-20(27-24)17-7-8-17)16-9-11-18(12-10-16)26-21(30)13-15-5-3-2-4-6-15;1-28-21-19(20(24)26-28)17(13-18(25-21)23(11-12-23)22(29)30)14-7-9-15(10-8-14)27-33(31,32)16-5-3-2-4-6-16;1-28-23-21(22(24)26-28)19(13-20(25-23)17-7-8-17)16-9-11-18(12-10-16)27-31(29,30)14-15-5-3-2-4-6-15;1-28-22-20(21(24)27-28)18(13-19(26-22)15-7-8-15)14-9-11-17(12-10-14)25-23(29)16-5-3-2-4-6-16/h2-6,9-12,14,17H,7-8,13H2,1H3,(H2,25,28)(H,26,30);2-10,13,27H,11-12H2,1H3,(H2,24,26)(H,29,30);2-6,9-13,17,27H,7-8,14H2,1H3,(H2,24,26);2-6,9-13,15H,7-8H2,1H3,(H2,24,27)(H,25,29)
InChIKeyHRAOBVJGRQIBSA-UHFFFAOYSA-N
XLogP15.79
TPSA414.76 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.99
LogP ≤ 515.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide with MolForge

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Related Compounds

N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 2-[3-amino-1-methyl-4-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2-methylpropanoate
CID 159905423
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid;methane
CID 157317994
N-[4-(3-amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-4-[(dimethylamino)methyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide;4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
CID 158226917
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
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylbenzoic acid
CID 158910508
5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine;[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]methanone;5-ethyl-2-(methanesulfonamido)benzoic acid
CID 159236909

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide (CID 158562288) is 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide is Cn1nc(N)c2c(-c3ccc(NC(=O)Cc4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)c4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3(C(=O)O)CC3)nc21.
What is the InChIKey of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is HRAOBVJGRQIBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.C23H21N5O4S.C23H23N5O2S.C23H21N5O/c1-29-24-22(23(25)28-29)19(14-20(27-24)17-7-8-17)16-9-11-18(12-10-16)26-21(30)13-15-5-3-2-4-6-15;1-28-21-19(20(24)26-28)17(13-18(25-21)23(11-12-23)22(29)30)14-7-9-15(10-8-14)27-33(31,32)16-5-3-2-4-6-16;1-28-23-21(22(24)26-28)19(13-20(25-23)17-7-8-17)16-9-11-18(12-10-16)27-31(29,30)14-15-5-3-2-4-6-15;1-28-22-20(21(24)27-28)18(13-19(26-22)15-7-8-15)14-9-11-17(12-10-14)25-23(29)16-5-3-2-4-6-16/h2-6,9-12,14,17H,7-8,13H2,1H3,(H2,25,28)(H,26,30);2-10,13,27H,11-12H2,1H3,(H2,24,26)(H,29,30);2-6,9-13,17,27H,7-8,14H2,1H3,(H2,24,26);2-6,9-13,15H,7-8H2,1H3,(H2,24,27)(H,25,29).
What are the key properties of 1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide?
1-[3-amino-4-[4-(benzenesulfonamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 1677.99 g/mol, XLogP of 15.79, 21 rotatable bonds, 9 hydrogen bond donors, and 23 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]cyclopropane-1-carboxylic acid;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-phenylacetamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 158562288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).