5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C60H84BrF2N11O4 — CID 159298617

IUPAC5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC(C)C1CC12C(=O)Nc1ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(C)C)cc1Br.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C10H17BrN2.C9H12N4/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-7(2)13-9(11)6-8(12-13)10(3,4)5;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);6-7H,1-5H3;3-6H,1-2H3,(H2,10,11,12)
InChIKeyLBAWCEFPUDCRHP-UHFFFAOYSA-N
MW1141.30 g/mol
LogP14.49
Rot. Bonds6

About 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 159298617) has the molecular formula C60H84BrF2N11O4 and a molecular weight of 1141.30 g/mol. Its IUPAC name is 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID159298617
Molecular FormulaC60H84BrF2N11O4
Molecular Weight1141.30 g/mol
Exact Mass1139.59
IUPAC Name5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC(C)C1CC12C(=O)Nc1ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(C)C)cc1Br.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C10H17BrN2.C9H12N4/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-7(2)13-9(11)6-8(12-13)10(3,4)5;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);6-7H,1-5H3;3-6H,1-2H3,(H2,10,11,12)
InChIKeyLBAWCEFPUDCRHP-UHFFFAOYSA-N
XLogP14.49
TPSA180.11 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.30
LogP ≤ 514.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

CID 157156443
CID 157156443
5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-8-azatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 157221833
CID 158009975
CID 158009975
5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-[1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
CID 159989352
5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 161464258
(2R)-N-[1-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2R,3R)-2-[4-(2-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-4-oxo-5-azaspiro[2.4]heptan-5-yl]propanamide
CID 177906722

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 159298617) is 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(C)C)cc1Br.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.Cc1ccc2c(c1C)NC(=O)C2C(C)C.
What is the InChIKey of 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is LBAWCEFPUDCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C10H17BrN2.C9H12N4/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-7(2)13-9(11)6-8(12-13)10(3,4)5;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);6-7H,1-5H3;3-6H,1-2H3,(H2,10,11,12).
What are the key properties of 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 1141.30 g/mol, XLogP of 14.49, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 159298617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).