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

C18H27N5O2S — CID 97401250

IUPAC1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESCC(C)CS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12
InChIInChI=1S/C18H27N5O2S/c1-14(2)13-26(24,25)22-7-4-18(5-8-22)6-9-23-16(11-19-17(18)23)15-10-20-21(3)12-15/h10-12,14H,4-9,13H2,1-3H3
InChIKeyUUXQYFYXJBUXIC-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.01
Rot. Bonds4

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

1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (PubChem CID 97401250) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].

Molecular Properties

Compound Name1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
PubChem CID97401250
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
SMILESCC(C)CS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12
InChIInChI=1S/C18H27N5O2S/c1-14(2)13-26(24,25)22-7-4-18(5-8-22)6-9-23-16(11-19-17(18)23)15-10-20-21(3)12-15/h10-12,14H,4-9,13H2,1-3H3
InChIKeyUUXQYFYXJBUXIC-UHFFFAOYSA-N
XLogP2.01
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-Ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
CID 97401252
5-Ethylsulfonyl-3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97405325
3-(1-Methylpyrazol-4-yl)-1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
CID 97506067
3-(1-Methylpyrazol-4-yl)-1'-methylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
CID 97506075
1'-Cyclopropylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]
CID 97506080
1'-Ethylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine];2,2,2-trifluoroacetic acid
CID 118742645
3-(1-Methylpyrazol-4-yl)-1'-propylsulfonylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine];2,2,2-trifluoroacetic acid
CID 118742650
1'-Cyclopropylsulfonyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine];2,2,2-trifluoroacetic acid
CID 118742651
1'-Cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97440509
1-[3-(1-Methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]ethanone
CID 97506066
N-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97506077
3-(1-methylpyrazol-4-yl)-N-propan-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97506078

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The IUPAC name of 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] (CID 97401250) is 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine].
What is the SMILES notation for 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The canonical SMILES for 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is CC(C)CS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12.
What is the InChIKey of 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
The InChIKey is UUXQYFYXJBUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-14(2)13-26(24,25)22-7-4-18(5-8-22)6-9-23-16(11-19-17(18)23)15-10-20-21(3)12-15/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]?
1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] has a molecular weight of 377.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropylsulfonyl)-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine] is sourced from PubChem (CID 97401250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).