1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole

C20H26N4O2S — CID 118683137

IUPAC1-[(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
InChIInChI=1S/C20H26N4O2S/c1-14(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/h4-7,9-11,14-16H,8,12-13H2,1-3H3,(H,21,22)
InChIKeySNORFBBLODTKAN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.48
Rot. Bonds5

About 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-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 118683137) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID118683137
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-[(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
InChIInChI=1S/C20H26N4O2S/c1-14(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/h4-7,9-11,14-16H,8,12-13H2,1-3H3,(H,21,22)
InChIKeySNORFBBLODTKAN-UHFFFAOYSA-N
XLogP3.48
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole (CID 118683137) is 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 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.
What is the InChIKey of 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is SNORFBBLODTKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(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/h4-7,9-11,14-16H,8,12-13H2,1-3H3,(H,21,22).
What are the key properties of 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-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 386.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1-propan-2-ylsulfonylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 118683137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).