1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

C69H68F4N12O6S3 — CID 159480753

IUPAC1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H22F2N4O2S.2C23H23FN4O2S/c1-15-9-16(14-29(15)32(30,31)22-4-2-3-20(24)23(22)25)13-28-8-7-18-10-17(5-6-21(18)28)19-11-26-27-12-19;1-16-9-17(15-28(16)31(29,30)22-4-2-3-21(24)11-22)14-27-8-7-19-10-18(5-6-23(19)27)20-12-25-26-13-20;1-16-10-17(15-28(16)31(29,30)23-5-3-2-4-21(23)24)14-27-9-8-19-11-18(6-7-22(19)27)20-12-25-26-13-20/h2-8,10-12,15-16H,9,13-14H2,1H3,(H,26,27);2-8,10-13,16-17H,9,14-15H2,1H3,(H,25,26);2-9,11-13,16-17H,10,14-15H2,1H3,(H,25,26)
InChIKeyLWYXIMAPMFTIMA-UHFFFAOYSA-N
MW1333.57 g/mol
LogP12.95
Rot. Bonds15

About 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 159480753) has the molecular formula C69H68F4N12O6S3 and a molecular weight of 1333.57 g/mol. Its IUPAC name is 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID159480753
Molecular FormulaC69H68F4N12O6S3
Molecular Weight1333.57 g/mol
Exact Mass1332.45
IUPAC Name1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H22F2N4O2S.2C23H23FN4O2S/c1-15-9-16(14-29(15)32(30,31)22-4-2-3-20(24)23(22)25)13-28-8-7-18-10-17(5-6-21(18)28)19-11-26-27-12-19;1-16-9-17(15-28(16)31(29,30)22-4-2-3-21(24)11-22)14-27-8-7-19-10-18(5-6-23(19)27)20-12-25-26-13-20;1-16-10-17(15-28(16)31(29,30)23-5-3-2-4-21(23)24)14-27-9-8-19-11-18(6-7-22(19)27)20-12-25-26-13-20/h2-8,10-12,15-16H,9,13-14H2,1H3,(H,26,27);2-8,10-13,16-17H,9,14-15H2,1H3,(H,25,26);2-9,11-13,16-17H,10,14-15H2,1H3,(H,25,26)
InChIKeyLWYXIMAPMFTIMA-UHFFFAOYSA-N
XLogP12.95
TPSA212.97 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.57
LogP ≤ 512.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-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-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (CID 159480753) is 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is LWYXIMAPMFTIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2S.2C23H23FN4O2S/c1-15-9-16(14-29(15)32(30,31)22-4-2-3-20(24)23(22)25)13-28-8-7-18-10-17(5-6-21(18)28)19-11-26-27-12-19;1-16-9-17(15-28(16)31(29,30)22-4-2-3-21(24)11-22)14-27-8-7-19-10-18(5-6-23(19)27)20-12-25-26-13-20;1-16-10-17(15-28(16)31(29,30)23-5-3-2-4-21(23)24)14-27-9-8-19-11-18(6-7-22(19)27)20-12-25-26-13-20/h2-8,10-12,15-16H,9,13-14H2,1H3,(H,26,27);2-8,10-13,16-17H,9,14-15H2,1H3,(H,25,26);2-9,11-13,16-17H,10,14-15H2,1H3,(H,25,26).
What are the key properties of 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 1333.57 g/mol, XLogP of 12.95, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 159480753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).