6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline

C21H24N4O2S — CID 168797909

IUPAC6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline
SMILESCc1cc2ncccc2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1
InChIInChI=1S/C21H24N4O2S/c1-15-12-19-17(4-2-8-22-19)13-18(15)16-6-10-24(11-7-16)28(26,27)21-14-23-25-9-3-5-20(21)25/h2,4,8,12-14,16H,3,5-7,9-11H2,1H3
InChIKeyUTERFWXOIJYWPS-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.25
Rot. Bonds3

About 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline

6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline (PubChem CID 168797909) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline.

Molecular Properties

Compound Name6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline
PubChem CID168797909
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline
SMILESCc1cc2ncccc2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1
InChIInChI=1S/C21H24N4O2S/c1-15-12-19-17(4-2-8-22-19)13-18(15)16-6-10-24(11-7-16)28(26,27)21-14-23-25-9-3-5-20(21)25/h2,4,8,12-14,16H,3,5-7,9-11H2,1H3
InChIKeyUTERFWXOIJYWPS-UHFFFAOYSA-N
XLogP3.25
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline with MolForge

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Related Compounds

7-chloro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797936
7-fluoro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797494
3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168797552
6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-5-methyl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
CID 168797692
7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92595370
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797899
1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797722
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
CID 68554867
6-[1-(5-chloro-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methylimidazo[1,2-a]pyridine
CID 168797578
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline?
The IUPAC name of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline (CID 168797909) is 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline.
What is the SMILES notation for 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline?
The canonical SMILES for 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline is Cc1cc2ncccc2cc1C1CCN(S(=O)(=O)c2cnn3c2CCC3)CC1.
What is the InChIKey of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline?
The InChIKey is UTERFWXOIJYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-12-19-17(4-2-8-22-19)13-18(15)16-6-10-24(11-7-16)28(26,27)21-14-23-25-9-3-5-20(21)25/h2,4,8,12-14,16H,3,5-7,9-11H2,1H3.
What are the key properties of 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline?
6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline has a molecular weight of 396.52 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylsulfonyl)piperidin-4-yl]-7-methylquinoline is sourced from PubChem (CID 168797909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).