3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole

C68H106F3N13O4 — CID 159964054

IUPAC3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)c1cn[nH]c1.CC(C)c1cn[nH]c1C(F)(F)F.CCOc1ncccc1C(C)(C)C.COc1cccnc1C(C)(C)C.COc1ncccc1C(C)(C)C.COc1nccnc1C(C)(C)C.Cc1[nH]ncc1C(C)C.Cn1nccc1C(C)(C)C
InChIInChI=1S/C11H17NO.2C10H15NO.C9H14N2O.C8H14N2.C7H9F3N2.C7H12N2.C6H10N2/c1-5-13-10-9(11(2,3)4)7-6-8-12-10;1-10(2,3)9-8(12-4)6-5-7-11-9;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)7-8(12-4)11-6-5-10-7;1-8(2,3)7-5-6-9-10(7)4;1-4(2)5-3-11-12-6(5)7(8,9)10;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-8-4-6/h6-8H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5-6H,1-4H3;3-4H,1-2H3,(H,11,12);4-5H,1-3H3,(H,8,9);3-5H,1-2H3,(H,7,8)
InChIKeyODRUFXUKVSWCEV-UHFFFAOYSA-N
MW1226.68 g/mol
LogP16.98
Rot. Bonds8

About 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole

3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 159964054) has the molecular formula C68H106F3N13O4 and a molecular weight of 1226.68 g/mol. Its IUPAC name is 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID159964054
Molecular FormulaC68H106F3N13O4
Molecular Weight1226.68 g/mol
Exact Mass1225.84
IUPAC Name3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)c1cn[nH]c1.CC(C)c1cn[nH]c1C(F)(F)F.CCOc1ncccc1C(C)(C)C.COc1cccnc1C(C)(C)C.COc1ncccc1C(C)(C)C.COc1nccnc1C(C)(C)C.Cc1[nH]ncc1C(C)C.Cn1nccc1C(C)(C)C
InChIInChI=1S/C11H17NO.2C10H15NO.C9H14N2O.C8H14N2.C7H9F3N2.C7H12N2.C6H10N2/c1-5-13-10-9(11(2,3)4)7-6-8-12-10;1-10(2,3)9-8(12-4)6-5-7-11-9;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)7-8(12-4)11-6-5-10-7;1-8(2,3)7-5-6-9-10(7)4;1-4(2)5-3-11-12-6(5)7(8,9)10;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-8-4-6/h6-8H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5-6H,1-4H3;3-4H,1-2H3,(H,11,12);4-5H,1-3H3,(H,8,9);3-5H,1-2H3,(H,7,8)
InChIKeyODRUFXUKVSWCEV-UHFFFAOYSA-N
XLogP16.98
TPSA205.23 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.68
LogP ≤ 516.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137033134
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]ethyl-methylamino]pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137033904
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137034001
N-[3-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137039537
2-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137039560
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137040190
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137040222
2-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137040397
N-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137040534
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137102794
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137103112
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137103155

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole (CID 159964054) is 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole is CC(C)c1cn[nH]c1.CC(C)c1cn[nH]c1C(F)(F)F.CCOc1ncccc1C(C)(C)C.COc1cccnc1C(C)(C)C.COc1ncccc1C(C)(C)C.COc1nccnc1C(C)(C)C.Cc1[nH]ncc1C(C)C.Cn1nccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ODRUFXUKVSWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.2C10H15NO.C9H14N2O.C8H14N2.C7H9F3N2.C7H12N2.C6H10N2/c1-5-13-10-9(11(2,3)4)7-6-8-12-10;1-10(2,3)9-8(12-4)6-5-7-11-9;1-10(2,3)8-6-5-7-11-9(8)12-4;1-9(2,3)7-8(12-4)11-6-5-10-7;1-8(2,3)7-5-6-9-10(7)4;1-4(2)5-3-11-12-6(5)7(8,9)10;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-8-4-6/h6-8H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5-6H,1-4H3;3-4H,1-2H3,(H,11,12);4-5H,1-3H3,(H,8,9);3-5H,1-2H3,(H,7,8).
What are the key properties of 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole?
3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 1226.68 g/mol, XLogP of 16.98, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-methoxypyrazine;2-tert-butyl-3-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-1-methylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 159964054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).