1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]

C19H24N4O2S — CID 97400065

IUPAC1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCCS(=O)(=O)N1CC2(CCN(c3ccc(C)nn3)CC2)c2ccccc21
InChIInChI=1S/C19H24N4O2S/c1-3-26(24,25)23-14-19(16-6-4-5-7-17(16)23)10-12-22(13-11-19)18-9-8-15(2)20-21-18/h4-9H,3,10-14H2,1-2H3
InChIKeyVZPYKHZIHMTWRF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.49
Rot. Bonds3

About 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]

1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 97400065) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]
PubChem CID97400065
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCCS(=O)(=O)N1CC2(CCN(c3ccc(C)nn3)CC2)c2ccccc21
InChIInChI=1S/C19H24N4O2S/c1-3-26(24,25)23-14-19(16-6-4-5-7-17(16)23)10-12-22(13-11-19)18-9-8-15(2)20-21-18/h4-9H,3,10-14H2,1-2H3
InChIKeyVZPYKHZIHMTWRF-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947386
8-(6-methylpyridazin-3-yl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97449761
(6S)-2-ethylsulfonyl-11-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494848
1-[(2-fluoro-4-methylphenyl)methylsulfonyl]spiro[2H-indole-3,1'-cyclopentane]
CID 170540676
(4aR,8aR)-2-(6-methylpyridazin-3-yl)-7-methylsulfonyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72893132
ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 159479353
1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
1'-(6-chloro-1H-benzimidazol-2-yl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
CID 10070563
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469671
1-(6-methylpyridazin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56916374
3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
CID 121038125

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine] (CID 97400065) is 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine] is CCS(=O)(=O)N1CC2(CCN(c3ccc(C)nn3)CC2)c2ccccc21.
What is the InChIKey of 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is VZPYKHZIHMTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-26(24,25)23-14-19(16-6-4-5-7-17(16)23)10-12-22(13-11-19)18-9-8-15(2)20-21-18/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine]?
1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 372.49 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-1'-(6-methylpyridazin-3-yl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 97400065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).