1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]

C16H23N5O2S — CID 97401252

IUPAC1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESCCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12
InChIInChI=1S/C16H23N5O2S/c1-3-24(22,23)20-7-4-16(5-8-20)6-9-21-14(11-17-15(16)21)13-10-18-19(2)12-13/h10-12H,3-9H2,1-2H3
InChIKeyBIBYZBFUQUFJFQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.37
Rot. Bonds3

About 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]

1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (PubChem CID 97401252) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].

Molecular Properties

Compound Name1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
PubChem CID97401252
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESCCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12
InChIInChI=1S/C16H23N5O2S/c1-3-24(22,23)20-7-4-16(5-8-20)6-9-21-14(11-17-15(16)21)13-10-18-19(2)12-13/h10-12H,3-9H2,1-2H3
InChIKeyBIBYZBFUQUFJFQ-UHFFFAOYSA-N
XLogP1.37
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The IUPAC name of 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (CID 97401252) is 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].
What is the SMILES notation for 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The canonical SMILES for 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is CCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12.
What is the InChIKey of 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The InChIKey is BIBYZBFUQUFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-24(22,23)20-7-4-16(5-8-20)6-9-21-14(11-17-15(16)21)13-10-18-19(2)12-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] has a molecular weight of 349.46 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is sourced from PubChem (CID 97401252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).