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

C20H24N4O3S — CID 3238399

IUPAC1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C20H24N4O3S/c1-2-20(25)24-10-8-16-15-17(6-7-18(16)24)28(26,27)23-13-11-22(12-14-23)19-5-3-4-9-21-19/h3-7,9,15H,2,8,10-14H2,1H3
InChIKeyYBUDRQNAMGRXJB-UHFFFAOYSA-N
MW400.50 g/mol
LogP1.89
Rot. Bonds4

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

1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 3238399) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID3238399
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C20H24N4O3S/c1-2-20(25)24-10-8-16-15-17(6-7-18(16)24)28(26,27)23-13-11-22(12-14-23)19-5-3-4-9-21-19/h3-7,9,15H,2,8,10-14H2,1H3
InChIKeyYBUDRQNAMGRXJB-UHFFFAOYSA-N
XLogP1.89
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one with MolForge

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Related Compounds

1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 46981251
1-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 20855824
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55604073
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
CID 126458274
ethyl 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 58078399
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one (CID 3238399) is 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is YBUDRQNAMGRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-20(25)24-10-8-16-15-17(6-7-18(16)24)28(26,27)23-13-11-22(12-14-23)19-5-3-4-9-21-19/h3-7,9,15H,2,8,10-14H2,1H3.
What are the key properties of 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 400.50 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 3238399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).