1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

C94H100F2N18O8S4 — CID 159879214

IUPAC1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccn1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccnc1
InChIInChI=1S/2C24H25FN4O2S.2C23H25N5O2S/c1-24(2)12-17(16-29(24)32(30,31)22-6-4-21(25)5-7-22)15-28-10-9-19-11-18(3-8-23(19)28)20-13-26-27-14-20;1-24(2)12-17(16-29(24)32(30,31)23-6-4-3-5-21(23)25)15-28-10-9-19-11-18(7-8-22(19)28)20-13-26-27-14-20;1-23(2)11-17(16-28(23)31(29,30)21-4-3-8-24-14-21)15-27-9-7-19-10-18(5-6-22(19)27)20-12-25-26-13-20;1-23(2)12-17(16-28(23)31(29,30)22-5-3-4-9-24-22)15-27-10-8-19-11-18(6-7-21(19)27)20-13-25-26-14-20/h2*3-11,13-14,17H,12,15-16H2,1-2H3,(H,26,27);3-10,12-14,17H,11,15-16H2,1-2H3,(H,25,26);3-11,13-14,17H,12,15-16H2,1-2H3,(H,25,26)
InChIKeyNTHTZXDKIUEBPO-UHFFFAOYSA-N
MW1776.22 g/mol
LogP17.15
Rot. Bonds20

About 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 159879214) has the molecular formula C94H100F2N18O8S4 and a molecular weight of 1776.22 g/mol. Its IUPAC name is 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID159879214
Molecular FormulaC94H100F2N18O8S4
Molecular Weight1776.22 g/mol
Exact Mass1774.68
IUPAC Name1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccn1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccnc1
InChIInChI=1S/2C24H25FN4O2S.2C23H25N5O2S/c1-24(2)12-17(16-29(24)32(30,31)22-6-4-21(25)5-7-22)15-28-10-9-19-11-18(3-8-23(19)28)20-13-26-27-14-20;1-24(2)12-17(16-29(24)32(30,31)23-6-4-3-5-21(23)25)15-28-10-9-19-11-18(7-8-22(19)28)20-13-26-27-14-20;1-23(2)11-17(16-28(23)31(29,30)21-4-3-8-24-14-21)15-27-9-7-19-10-18(5-6-22(19)27)20-12-25-26-13-20;1-23(2)12-17(16-28(23)31(29,30)22-5-3-4-9-24-22)15-27-10-8-19-11-18(6-7-21(19)27)20-13-25-26-14-20/h2*3-11,13-14,17H,12,15-16H2,1-2H3,(H,26,27);3-10,12-14,17H,11,15-16H2,1-2H3,(H,25,26);3-11,13-14,17H,12,15-16H2,1-2H3,(H,25,26)
InChIKeyNTHTZXDKIUEBPO-UHFFFAOYSA-N
XLogP17.15
TPSA309.74 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.22
LogP ≤ 517.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (CID 159879214) is 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccn1.CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is NTHTZXDKIUEBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25FN4O2S.2C23H25N5O2S/c1-24(2)12-17(16-29(24)32(30,31)22-6-4-21(25)5-7-22)15-28-10-9-19-11-18(3-8-23(19)28)20-13-26-27-14-20;1-24(2)12-17(16-29(24)32(30,31)23-6-4-3-5-21(23)25)15-28-10-9-19-11-18(7-8-22(19)28)20-13-26-27-14-20;1-23(2)11-17(16-28(23)31(29,30)21-4-3-8-24-14-21)15-27-9-7-19-10-18(5-6-22(19)27)20-12-25-26-13-20;1-23(2)12-17(16-28(23)31(29,30)22-5-3-4-9-24-22)15-27-10-8-19-11-18(6-7-21(19)27)20-13-25-26-14-20/h2*3-11,13-14,17H,12,15-16H2,1-2H3,(H,26,27);3-10,12-14,17H,11,15-16H2,1-2H3,(H,25,26);3-11,13-14,17H,12,15-16H2,1-2H3,(H,25,26).
What are the key properties of 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 1776.22 g/mol, XLogP of 17.15, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5,5-dimethyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 159879214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).