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

C17H23N5O2S — CID 97410445

IUPAC1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESCn1nccc1-c1cnc2n1CCC21CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H23N5O2S/c1-20-14(4-8-19-20)15-12-18-16-17(7-11-22(15)16)5-9-21(10-6-17)25(23,24)13-2-3-13/h4,8,12-13H,2-3,5-7,9-11H2,1H3
InChIKeyGPLBRHMTXFUDRY-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.51
Rot. Bonds3

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

1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (PubChem CID 97410445) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].

Molecular Properties

Compound Name1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
PubChem CID97410445
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESCn1nccc1-c1cnc2n1CCC21CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H23N5O2S/c1-20-14(4-8-19-20)15-12-18-16-17(7-11-22(15)16)5-9-21(10-6-17)25(23,24)13-2-3-13/h4,8,12-13H,2-3,5-7,9-11H2,1H3
InChIKeyGPLBRHMTXFUDRY-UHFFFAOYSA-N
XLogP1.51
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The IUPAC name of 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (CID 97410445) is 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].
What is the SMILES notation for 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The canonical SMILES for 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is Cn1nccc1-c1cnc2n1CCC21CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The InChIKey is GPLBRHMTXFUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-20-14(4-8-19-20)15-12-18-16-17(7-11-22(15)16)5-9-21(10-6-17)25(23,24)13-2-3-13/h4,8,12-13H,2-3,5-7,9-11H2,1H3.
What are the key properties of 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] has a molecular weight of 361.47 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropylsulfonyl-3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is sourced from PubChem (CID 97410445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).