6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one

C18H24N4O3S — CID 46832021

IUPAC6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCC1CCc2c([nH]n(-c3ccc(S(=O)(=O)N4CCCCC4)cn3)c2=O)C1
InChIInChI=1S/C18H24N4O3S/c1-13-5-7-15-16(11-13)20-22(18(15)23)17-8-6-14(12-19-17)26(24,25)21-9-3-2-4-10-21/h6,8,12-13,20H,2-5,7,9-11H2,1H3
InChIKeyMCFTYMRICNXMBT-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.86
Rot. Bonds3

About 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one

6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 46832021) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID46832021
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCC1CCc2c([nH]n(-c3ccc(S(=O)(=O)N4CCCCC4)cn3)c2=O)C1
InChIInChI=1S/C18H24N4O3S/c1-13-5-7-15-16(11-13)20-22(18(15)23)17-8-6-14(12-19-17)26(24,25)21-9-3-2-4-10-21/h6,8,12-13,20H,2-5,7,9-11H2,1H3
InChIKeyMCFTYMRICNXMBT-UHFFFAOYSA-N
XLogP1.86
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one with MolForge

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1H-pyrazol-3-one
CID 46833476
1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133354493
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67355726
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
2-methyl-6-phenyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 47983366
4-[(2-fluorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-pyrazol-3-one
CID 46833170
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 164909669

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 46832021) is 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one is CC1CCc2c([nH]n(-c3ccc(S(=O)(=O)N4CCCCC4)cn3)c2=O)C1.
What is the InChIKey of 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is MCFTYMRICNXMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-5-7-15-16(11-13)20-22(18(15)23)17-8-6-14(12-19-17)26(24,25)21-9-3-2-4-10-21/h6,8,12-13,20H,2-5,7,9-11H2,1H3.
What are the key properties of 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 376.48 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 46832021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).