5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine

C₁₀₄H₁₄₇F₃N₁₆O₄ — CID 158144951

About 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine

5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine (PubChem CID 158144951) has the molecular formula C₁₀₄H₁₄₇F₃N₁₆O₄ and a molecular weight of 1742.42 g/mol. Its IUPAC name is 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine
• PubChem CID: 158144951
• Molecular Formula: C₁₀₄H₁₄₇F₃N₁₆O₄
• Molecular Weight: 1742.42 g/mol
• Exact Mass: 1741.17
• IUPAC Name: 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine
• SMILES: C.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cnc2cnccn12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1cn2ccnc2cn1.CC1=Nc2ccccc2C1.Cc1nc2ccccc2o1.Cc1nn2ccc(C(C)(C)C)cc2c1F
• InChI: InChI=1S/C12H15FN2.C12H16O.C10H10F2O2.3C10H13N3.C9H11N3.C9H9N.C8H7NO.2C5H12.4CH4/c1-8-11(13)10-7-9(12(2,3)4)5-6-15(10)14-8;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-6-12-9-7-11-4-5-13(8)9;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;2*1-5(2,3)4;;;;/h5-7H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;3-6H,1-2H3;3*4-7H,1-3H3;3-7H,1-2H3;2-5H,6H2,1H3;2-5H,1H3;2*1-4H3;4*1H4
• InChIKey: FUKCECHGQYQETF-UHFFFAOYSA-N
• XLogP: 28.40
• TPSA: 204.14 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 3
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.42
LogP ≤ 5	28.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine?

The IUPAC name of 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine (CID 158144951) is 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine.

What is the SMILES notation for 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine?

The canonical SMILES for 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine is C.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cnc2cnccn12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1cn2ccnc2cn1.CC1=Nc2ccccc2C1.Cc1nc2ccccc2o1.Cc1nn2ccc(C(C)(C)C)cc2c1F.

What is the InChIKey of 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine?

The InChIKey is FUKCECHGQYQETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2.C12H16O.C10H10F2O2.3C10H13N3.C9H11N3.C9H9N.C8H7NO.2C5H12.4CH4/c1-8-11(13)10-7-9(12(2,3)4)5-6-15(10)14-8;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-6-12-9-7-11-4-5-13(8)9;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;2*1-5(2,3)4;;;;/h5-7H,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;3-6H,1-2H3;3*4-7H,1-3H3;3-7H,1-2H3;2-5H,6H2,1H3;2-5H,1H3;2*1-4H3;4*1H4.

What are the key properties of 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine?

5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 1742.42 g/mol, XLogP of 28.40, 3 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 158144951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158144951 — identifiers, structure, computed properties (public domain)

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