1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

C21H28N4O3S — CID 46981251

IUPAC1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(n4nc(C)cc4C)CC3)ccc21
InChIInChI=1S/C21H28N4O3S/c1-4-21(26)24-12-7-17-14-19(5-6-20(17)24)29(27,28)23-10-8-18(9-11-23)25-16(3)13-15(2)22-25/h5-6,13-14,18H,4,7-12H2,1-3H3
InChIKeyOTIQDBFNURHAEC-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.82
Rot. Bonds4

About 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 46981251) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID46981251
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(n4nc(C)cc4C)CC3)ccc21
InChIInChI=1S/C21H28N4O3S/c1-4-21(26)24-12-7-17-14-19(5-6-20(17)24)29(27,28)23-10-8-18(9-11-23)25-16(3)13-15(2)22-25/h5-6,13-14,18H,4,7-12H2,1-3H3
InChIKeyOTIQDBFNURHAEC-UHFFFAOYSA-N
XLogP2.82
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one 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

1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3238399
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N,N-diethylacetamide
CID 53124750
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
1-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 20855824
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15997303
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258890
3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55759883

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one (CID 46981251) is 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(n4nc(C)cc4C)CC3)ccc21.
What is the InChIKey of 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is OTIQDBFNURHAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-4-21(26)24-12-7-17-14-19(5-6-20(17)24)29(27,28)23-10-8-18(9-11-23)25-16(3)13-15(2)22-25/h5-6,13-14,18H,4,7-12H2,1-3H3.
What are the key properties of 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 416.55 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 46981251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).