7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane

C37H52N4 — CID 163607774

IUPAC7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane
SMILESC.C.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccn2cccc2c1.CC(C)(C)c1ccn2ccnc2c1
InChIInChI=1S/2C12H15N.C11H14N2.2CH4/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-6-8-13-7-4-5-11(13)9-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;;/h4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;2*1H4
InChIKeyHDGHHVDKTOUOTI-UHFFFAOYSA-N
MW552.85 g/mol
LogP10.38
Rot. Bonds

About 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane

7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane (PubChem CID 163607774) has the molecular formula C37H52N4 and a molecular weight of 552.85 g/mol. Its IUPAC name is 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane.

Molecular Properties

Compound Name7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane
PubChem CID163607774
Molecular FormulaC37H52N4
Molecular Weight552.85 g/mol
Exact Mass552.42
IUPAC Name7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane
SMILESC.C.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccn2cccc2c1.CC(C)(C)c1ccn2ccnc2c1
InChIInChI=1S/2C12H15N.C11H14N2.2CH4/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-6-8-13-7-4-5-11(13)9-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;;/h4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;2*1H4
InChIKeyHDGHHVDKTOUOTI-UHFFFAOYSA-N
XLogP10.38
TPSA34.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.85
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510
6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)
CID 164980782
tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole;bis(3H-indole)
CID 158752956
7-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627477
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
2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile
CID 167660028
7-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 96748169
7-ethylimidazo[1,2-a]pyridine
CID 18184463
7-methylsulfanylimidazo[1,2-a]pyridine
CID 126622395
6-tert-butyl-3H-quinolin-4-one
CID 58588580
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
3,5-ditert-butyl-1H-indene
CID 20675508

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane?
The IUPAC name of 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane (CID 163607774) is 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane.
What is the SMILES notation for 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane?
The canonical SMILES for 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane is C.C.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccn2cccc2c1.CC(C)(C)c1ccn2ccnc2c1.
What is the InChIKey of 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane?
The InChIKey is HDGHHVDKTOUOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H14N2.2CH4/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-6-8-13-7-4-5-11(13)9-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;;/h4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;2*1H4.
What are the key properties of 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane?
7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane has a molecular weight of 552.85 g/mol, XLogP of 10.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane is sourced from PubChem (CID 163607774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).