1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole

C86H112N16O8S4 — CID 161220428

IUPAC1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C(C)(C)C.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C(C)C.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCCC1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C23H30N4O2S.C22H28N4O2S.C21H28N4O2S.C20H26N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21;1-16-10-17(15-26(16)29(27,28)21-4-2-3-5-21)14-25-9-8-19-11-18(6-7-22(19)25)20-12-23-24-13-20;1-15-9-16(14-25(15)28(26,27)21(2,3)4)13-24-8-7-18-10-17(5-6-20(18)24)19-11-22-23-12-19;1-14(2)27(25,26)24-13-16(8-15(24)3)12-23-7-6-18-9-17(4-5-20(18)23)19-10-21-22-11-19/h7-10,12-14,17-18,22H,2-6,11,15-16H2,1H3,(H,24,25);6-9,11-13,16-17,21H,2-5,10,14-15H2,1H3,(H,23,24);5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,22,23);4-7,9-11,14-16H,8,12-13H2,1-3H3,(H,21,22)
InChIKeyUXKTZKBZZLDRRS-UHFFFAOYSA-N
MW1626.21 g/mol
LogP15.77
Rot. Bonds19

About 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole

1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 161220428) has the molecular formula C86H112N16O8S4 and a molecular weight of 1626.21 g/mol. Its IUPAC name is 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID161220428
Molecular FormulaC86H112N16O8S4
Molecular Weight1626.21 g/mol
Exact Mass1624.77
IUPAC Name1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C(C)(C)C.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C(C)C.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCCC1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C23H30N4O2S.C22H28N4O2S.C21H28N4O2S.C20H26N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21;1-16-10-17(15-26(16)29(27,28)21-4-2-3-5-21)14-25-9-8-19-11-18(6-7-22(19)25)20-12-23-24-13-20;1-15-9-16(14-25(15)28(26,27)21(2,3)4)13-24-8-7-18-10-17(5-6-20(18)24)19-11-22-23-12-19;1-14(2)27(25,26)24-13-16(8-15(24)3)12-23-7-6-18-9-17(4-5-20(18)23)19-10-21-22-11-19/h7-10,12-14,17-18,22H,2-6,11,15-16H2,1H3,(H,24,25);6-9,11-13,16-17,21H,2-5,10,14-15H2,1H3,(H,23,24);5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,22,23);4-7,9-11,14-16H,8,12-13H2,1-3H3,(H,21,22)
InChIKeyUXKTZKBZZLDRRS-UHFFFAOYSA-N
XLogP15.77
TPSA283.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.21
LogP ≤ 515.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-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-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole (CID 161220428) is 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole is CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C(C)(C)C.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C(C)C.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCCC1.CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is UXKTZKBZZLDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S.C22H28N4O2S.C21H28N4O2S.C20H26N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21;1-16-10-17(15-26(16)29(27,28)21-4-2-3-5-21)14-25-9-8-19-11-18(6-7-22(19)25)20-12-23-24-13-20;1-15-9-16(14-25(15)28(26,27)21(2,3)4)13-24-8-7-18-10-17(5-6-20(18)24)19-11-22-23-12-19;1-14(2)27(25,26)24-13-16(8-15(24)3)12-23-7-6-18-9-17(4-5-20(18)23)19-10-21-22-11-19/h7-10,12-14,17-18,22H,2-6,11,15-16H2,1H3,(H,24,25);6-9,11-13,16-17,21H,2-5,10,14-15H2,1H3,(H,23,24);5-8,10-12,15-16H,9,13-14H2,1-4H3,(H,22,23);4-7,9-11,14-16H,8,12-13H2,1-3H3,(H,21,22).
What are the key properties of 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 1626.21 g/mol, XLogP of 15.77, 19 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclohexylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-cyclopentylsulfonyl-5-methylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 161220428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).