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

C20H26N6O — CID 155899621

IUPAC3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC2(CC1)CCn1c(-c3ccnn3C)cnc12
InChIInChI=1S/C20H26N6O/c1-14-16(15(2)27-23-14)13-25-9-5-20(6-10-25)7-11-26-18(12-21-19(20)26)17-4-8-22-24(17)3/h4,8,12H,5-7,9-11,13H2,1-3H3
InChIKeyDWMYTGUAVVEHJR-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.83
Rot. Bonds3

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

3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole (PubChem CID 155899621) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
PubChem CID155899621
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC2(CC1)CCn1c(-c3ccnn3C)cnc12
InChIInChI=1S/C20H26N6O/c1-14-16(15(2)27-23-14)13-25-9-5-20(6-10-25)7-11-26-18(12-21-19(20)26)17-4-8-22-24(17)3/h4,8,12H,5-7,9-11,13H2,1-3H3
InChIKeyDWMYTGUAVVEHJR-UHFFFAOYSA-N
XLogP2.83
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-Dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 75459841
4-{5-[(3,5-dimethylisoxazol-4-yl)methyl]-3-methyl-1H-1,2,4-triazol-1-yl}pyridine
CID 129624565
3-Tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165000668
4-Tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;1-tert-butyl-3-(1,1-difluoroethyl)pyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165007747
6-(3-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethyl-4-pyrimidinamine
CID 28310359
5-ethyl-2-(3-{1-[(5-methyl-3-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)pyrimidine
CID 28311836
3'-[(3,5-dimethylisoxazol-4-yl)methyl]-5'-phenyl-1-propyl-1H,3'H-2,4'-biimidazole
CID 50965431
4-{[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-3,5-dimethylisoxazole
CID 50975243
3-Methyl-5-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 92427327
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97471154
3,5-dimethyl-4-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 131651842
3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole
CID 118937144

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole (CID 155899621) is 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC2(CC1)CCn1c(-c3ccnn3C)cnc12.
What is the InChIKey of 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
The InChIKey is DWMYTGUAVVEHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-16(15(2)27-23-14)13-25-9-5-20(6-10-25)7-11-26-18(12-21-19(20)26)17-4-8-22-24(17)3/h4,8,12H,5-7,9-11,13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole has a molecular weight of 366.47 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 155899621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).