1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole

C88H88F2N22O8S4 — CID 157159925

IUPAC1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2)cc1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H22N6O2S.2C22H22FN5O2S.C21H22N6O2S/c24-12-17-1-4-22(5-2-17)32(30,31)28-9-7-18(8-10-28)16-29-23-6-3-19(11-20(23)15-27-29)21-13-25-26-14-21;23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-6,11,13-15,18H,7-10,16H2,(H,25,26);1-6,11-14,16H,7-10,15H2,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24)
InChIKeyAMGDGAHUXZWYAK-UHFFFAOYSA-N
MW1748.08 g/mol
LogP13.65
Rot. Bonds20

About 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole

1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole (PubChem CID 157159925) has the molecular formula C88H88F2N22O8S4 and a molecular weight of 1748.08 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
PubChem CID157159925
Molecular FormulaC88H88F2N22O8S4
Molecular Weight1748.08 g/mol
Exact Mass1746.60
IUPAC Name1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2)cc1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H22N6O2S.2C22H22FN5O2S.C21H22N6O2S/c24-12-17-1-4-22(5-2-17)32(30,31)28-9-7-18(8-10-28)16-29-23-6-3-19(11-20(23)15-27-29)21-13-25-26-14-21;23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-6,11,13-15,18H,7-10,16H2,(H,25,26);1-6,11-14,16H,7-10,15H2,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24)
InChIKeyAMGDGAHUXZWYAK-UHFFFAOYSA-N
XLogP13.65
TPSA372.20 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.08
LogP ≤ 513.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
The IUPAC name of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole (CID 157159925) is 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
The canonical SMILES for 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole is N#Cc1ccc(S(=O)(=O)N2CCC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)CC2)cc1.O=S(=O)(c1ccc(F)cc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1cccnc1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
The InChIKey is AMGDGAHUXZWYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S.2C22H22FN5O2S.C21H22N6O2S/c24-12-17-1-4-22(5-2-17)32(30,31)28-9-7-18(8-10-28)16-29-23-6-3-19(11-20(23)15-27-29)21-13-25-26-14-21;23-20-2-4-21(5-3-20)31(29,30)27-9-7-16(8-10-27)15-28-22-6-1-17(11-18(22)14-26-28)19-12-24-25-13-19;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;28-30(29,20-2-1-7-22-14-20)26-8-5-16(6-9-26)15-27-21-4-3-17(10-18(21)13-25-27)19-11-23-24-12-19/h1-6,11,13-15,18H,7-10,16H2,(H,25,26);1-6,11-14,16H,7-10,15H2,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-4,7,10-14,16H,5-6,8-9,15H2,(H,23,24).
What are the key properties of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole?
1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole has a molecular weight of 1748.08 g/mol, XLogP of 13.65, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;4-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]sulfonylbenzonitrile;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indazole is sourced from PubChem (CID 157159925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).