7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane

C66H90N14 — CID 158785185

IUPAC7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane
SMILESC.C.CC(C)(C)c1cc2nccn2cn1.CC(C)(C)c1cc2nncn2cn1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1cnc2ccnn2c1
InChIInChI=1S/2C12H15N.C11H14N2.2C10H13N3.C9H12N4.2CH4/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-10(2,3)8-6-9-11-4-5-13(9)7-12-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-9(2,3)7-4-8-12-11-6-13(8)5-10-7;;/h2*4-8,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyIROXVEWSNFQDRJ-UHFFFAOYSA-N
MW1079.54 g/mol
LogP16.31
Rot. Bonds

About 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane

7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane (PubChem CID 158785185) has the molecular formula C66H90N14 and a molecular weight of 1079.54 g/mol. Its IUPAC name is 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane.

Molecular Properties

Compound Name7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane
PubChem CID158785185
Molecular FormulaC66H90N14
Molecular Weight1079.54 g/mol
Exact Mass1078.75
IUPAC Name7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane
SMILESC.C.CC(C)(C)c1cc2nccn2cn1.CC(C)(C)c1cc2nncn2cn1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1cnc2ccnn2c1
InChIInChI=1S/2C12H15N.C11H14N2.2C10H13N3.C9H12N4.2CH4/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-10(2,3)8-6-9-11-4-5-13(9)7-12-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-9(2,3)7-4-8-12-11-6-13(8)5-10-7;;/h2*4-8,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyIROXVEWSNFQDRJ-UHFFFAOYSA-N
XLogP16.31
TPSA152.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.54
LogP ≤ 516.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

8-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indene;7-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;8-tert-butyltetrazolo[1,5-a]pyridine;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CID 167685603
7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane
CID 163607774
8-fluoro-7-propan-2-ylimidazo[1,2-a]pyridine;2-methyl-7-propan-2-ylimidazo[1,2-a]pyridine;tris(3-methyl-7-propan-2-ylimidazo[1,2-a]pyridine);bis(7-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylindolizine;bis(6-propan-2-ylpyrazolo[1,5-a]pyridine);6-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 157076079
2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510
7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 154936668
6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CID 160820708
bis(tert-butylbenzene);bis(5-tert-butyl-1H-indole);bis(6-tert-butyl-1H-indole);2-tert-butylpyrazine;3-tert-butylpyridazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butyl-1H-pyrrole
CID 157293680
7-tert-butyl-1-[5-(1-tert-butylimidazo[1,5-a]pyridin-7-yl)-2,5-dimethylhexan-2-yl]imidazo[1,5-c]pyrimidine
CID 139442622
2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol
CID 59473478
N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide
CID 147906710
N-(6-tert-butyl-2-pyridinyl)-1H-indol-6-amine
CID 155412230
7-imidazo[1,2-a]pyridin-2-ylimidazo[1,2-c]pyrimidine
CID 139315871

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane?
The IUPAC name of 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane (CID 158785185) is 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane.
What is the SMILES notation for 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane?
The canonical SMILES for 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane is C.C.CC(C)(C)c1cc2nccn2cn1.CC(C)(C)c1cc2nncn2cn1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1cnc2ccnn2c1.
What is the InChIKey of 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane?
The InChIKey is IROXVEWSNFQDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H14N2.2C10H13N3.C9H12N4.2CH4/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-10(2,3)8-6-9-11-4-5-13(9)7-12-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-9(2,3)7-4-8-12-11-6-13(8)5-10-7;;/h2*4-8,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4.
What are the key properties of 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane?
7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane has a molecular weight of 1079.54 g/mol, XLogP of 16.31, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-c]pyrimidine;bis(6-tert-butyl-1H-indole);6-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-c]pyrimidine;methane is sourced from PubChem (CID 158785185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).