3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane

C76H101F4N11 — CID 161189448

IUPAC3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane
SMILESC.CC(C)(C)c1c(C(F)F)cc2ccccn12.CC(C)(C)c1cnc2cc(C(C)(F)F)ccn12.Cc1cccc2ncc(C(C)(C)C)n12.Cc1ccn2c(C(C)(C)C)c(C)nc2c1.Cc1ccn2c(C(C)(C)C)cnc2c1.Cc1nc2ccccn2c1C(C)(C)C
InChIInChI=1S/C13H16F2N2.C13H15F2N.C13H18N2.3C12H16N2.CH4/c1-12(2,3)10-8-16-11-7-9(13(4,14)15)5-6-17(10)11;1-13(2,3)11-10(12(14)15)8-9-6-4-5-7-16(9)11;1-9-6-7-15-11(8-9)14-10(2)12(15)13(3,4)5;1-9-5-6-14-10(12(2,3)4)8-13-11(14)7-9;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;/h5-8H,1-4H3;4-8,12H,1-3H3;6-8H,1-5H3;3*5-8H,1-4H3;1H4
InChIKeyUTNFCAJFMLNYIY-UHFFFAOYSA-N
MW1244.71 g/mol
LogP20.62
Rot. Bonds2

About 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane

3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane (PubChem CID 161189448) has the molecular formula C76H101F4N11 and a molecular weight of 1244.71 g/mol. Its IUPAC name is 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane.

Molecular Properties

Compound Name3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane
PubChem CID161189448
Molecular FormulaC76H101F4N11
Molecular Weight1244.71 g/mol
Exact Mass1243.82
IUPAC Name3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane
SMILESC.CC(C)(C)c1c(C(F)F)cc2ccccn12.CC(C)(C)c1cnc2cc(C(C)(F)F)ccn12.Cc1cccc2ncc(C(C)(C)C)n12.Cc1ccn2c(C(C)(C)C)c(C)nc2c1.Cc1ccn2c(C(C)(C)C)cnc2c1.Cc1nc2ccccn2c1C(C)(C)C
InChIInChI=1S/C13H16F2N2.C13H15F2N.C13H18N2.3C12H16N2.CH4/c1-12(2,3)10-8-16-11-7-9(13(4,14)15)5-6-17(10)11;1-13(2,3)11-10(12(14)15)8-9-6-4-5-7-16(9)11;1-9-6-7-15-11(8-9)14-10(2)12(15)13(3,4)5;1-9-5-6-14-10(12(2,3)4)8-13-11(14)7-9;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;/h5-8H,1-4H3;4-8,12H,1-3H3;6-8H,1-5H3;3*5-8H,1-4H3;1H4
InChIKeyUTNFCAJFMLNYIY-UHFFFAOYSA-N
XLogP20.62
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001244.71
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane with MolForge

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
US9725449, Example 264
CID 122686605
3-Methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine
CID 70649343
5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethyl)pyridin-2-yl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424545
2-[(2R,6S)-1-methyl-6-(3-methylpyridin-2-yl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 145424753
US11420970, Example 227
CID 156073198
US11420970, Example 218
CID 156073279
US20230399342, Example 112
CID 170432926
US20230399342, Example 101
CID 170433513
US20230399342, Example 102
CID 170434451
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424538
[Fe(TpCF3PP)(NO)(1-MeIm)]
CID 139115160

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane?
The IUPAC name of 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane (CID 161189448) is 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane.
What is the SMILES notation for 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane?
The canonical SMILES for 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane is C.CC(C)(C)c1c(C(F)F)cc2ccccn12.CC(C)(C)c1cnc2cc(C(C)(F)F)ccn12.Cc1cccc2ncc(C(C)(C)C)n12.Cc1ccn2c(C(C)(C)C)c(C)nc2c1.Cc1ccn2c(C(C)(C)C)cnc2c1.Cc1nc2ccccn2c1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane?
The InChIKey is UTNFCAJFMLNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2.C13H15F2N.C13H18N2.3C12H16N2.CH4/c1-12(2,3)10-8-16-11-7-9(13(4,14)15)5-6-17(10)11;1-13(2,3)11-10(12(14)15)8-9-6-4-5-7-16(9)11;1-9-6-7-15-11(8-9)14-10(2)12(15)13(3,4)5;1-9-5-6-14-10(12(2,3)4)8-13-11(14)7-9;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;/h5-8H,1-4H3;4-8,12H,1-3H3;6-8H,1-5H3;3*5-8H,1-4H3;1H4.
What are the key properties of 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane?
3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane has a molecular weight of 1244.71 g/mol, XLogP of 20.62, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)indolizine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine;methane is sourced from PubChem (CID 161189448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).