1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane

C104H150N22O11 — CID 161304422

IUPAC1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane
SMILESC.C.C.C.C.CC(=O)C1=NC2C=C(C(C)(C)C)C=CC2N=C1.CC(C)(C)c1ccc2ncc(C(=O)NC3CC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NC3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)O)n2n1.CC(C)(C)c1ccc2ncc(C(N)=O)n2n1.CCOC(=O)c1cnc2ccc(C(C)(C)C)nn12
InChIInChI=1S/C18H26N4O2.C17H23N3O2.C15H19N3O.C14H18N2O.C13H17N3O2.C11H14N4O.C11H13N3O2.5CH4/c1-18(2,3)14-4-5-16-20-12-15(22(16)13-14)17(23)19-6-7-21-8-10-24-11-9-21;1-17(2,3)12-4-5-15-18-10-14(20(15)11-12)16(21)19-13-6-8-22-9-7-13;1-15(2,3)10-4-7-13-16-8-12(18(13)9-10)14(19)17-11-5-6-11;1-9(17)13-8-15-11-6-5-10(14(2,3)4)7-12(11)16-13;1-5-18-12(17)9-8-14-11-7-6-10(13(2,3)4)15-16(9)11;1-11(2,3)8-4-5-9-13-6-7(10(12)16)15(9)14-8;1-11(2,3)8-4-5-9-12-6-7(10(15)16)14(9)13-8;;;;;/h4-5,12-13H,6-11H2,1-3H3,(H,19,23);4-5,10-11,13H,6-9H2,1-3H3,(H,19,21);4,7-9,11H,5-6H2,1-3H3,(H,17,19);5-8,11-12H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3,(H2,12,16);4-6H,1-3H3,(H,15,16);5*1H4
InChIKeyVIBBPZLROOFOMP-UHFFFAOYSA-N
MW1884.49 g/mol
LogP17.37
Rot. Bonds13

About 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane

1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane (PubChem CID 161304422) has the molecular formula C104H150N22O11 and a molecular weight of 1884.49 g/mol. Its IUPAC name is 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane.

Molecular Properties

Compound Name1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane
PubChem CID161304422
Molecular FormulaC104H150N22O11
Molecular Weight1884.49 g/mol
Exact Mass1883.19
IUPAC Name1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane
SMILESC.C.C.C.C.CC(=O)C1=NC2C=C(C(C)(C)C)C=CC2N=C1.CC(C)(C)c1ccc2ncc(C(=O)NC3CC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NC3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)O)n2n1.CC(C)(C)c1ccc2ncc(C(N)=O)n2n1.CCOC(=O)c1cnc2ccc(C(C)(C)C)nn12
InChIInChI=1S/C18H26N4O2.C17H23N3O2.C15H19N3O.C14H18N2O.C13H17N3O2.C11H14N4O.C11H13N3O2.5CH4/c1-18(2,3)14-4-5-16-20-12-15(22(16)13-14)17(23)19-6-7-21-8-10-24-11-9-21;1-17(2,3)12-4-5-15-18-10-14(20(15)11-12)16(21)19-13-6-8-22-9-7-13;1-15(2,3)10-4-7-13-16-8-12(18(13)9-10)14(19)17-11-5-6-11;1-9(17)13-8-15-11-6-5-10(14(2,3)4)7-12(11)16-13;1-5-18-12(17)9-8-14-11-7-6-10(13(2,3)4)15-16(9)11;1-11(2,3)8-4-5-9-13-6-7(10(12)16)15(9)14-8;1-11(2,3)8-4-5-9-12-6-7(10(15)16)14(9)13-8;;;;;/h4-5,12-13H,6-11H2,1-3H3,(H,19,23);4-5,10-11,13H,6-9H2,1-3H3,(H,19,21);4,7-9,11H,5-6H2,1-3H3,(H,17,19);5-8,11-12H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3,(H2,12,16);4-6H,1-3H3,(H,15,16);5*1H4
InChIKeyVIBBPZLROOFOMP-UHFFFAOYSA-N
XLogP17.37
TPSA399.95 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.49
LogP ≤ 517.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane?
The IUPAC name of 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane (CID 161304422) is 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane.
What is the SMILES notation for 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane?
The canonical SMILES for 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane is C.C.C.C.C.CC(=O)C1=NC2C=C(C(C)(C)C)C=CC2N=C1.CC(C)(C)c1ccc2ncc(C(=O)NC3CC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NC3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1.CC(C)(C)c1ccc2ncc(C(=O)O)n2n1.CC(C)(C)c1ccc2ncc(C(N)=O)n2n1.CCOC(=O)c1cnc2ccc(C(C)(C)C)nn12.
What is the InChIKey of 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane?
The InChIKey is VIBBPZLROOFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C17H23N3O2.C15H19N3O.C14H18N2O.C13H17N3O2.C11H14N4O.C11H13N3O2.5CH4/c1-18(2,3)14-4-5-16-20-12-15(22(16)13-14)17(23)19-6-7-21-8-10-24-11-9-21;1-17(2,3)12-4-5-15-18-10-14(20(15)11-12)16(21)19-13-6-8-22-9-7-13;1-15(2,3)10-4-7-13-16-8-12(18(13)9-10)14(19)17-11-5-6-11;1-9(17)13-8-15-11-6-5-10(14(2,3)4)7-12(11)16-13;1-5-18-12(17)9-8-14-11-7-6-10(13(2,3)4)15-16(9)11;1-11(2,3)8-4-5-9-13-6-7(10(12)16)15(9)14-8;1-11(2,3)8-4-5-9-12-6-7(10(15)16)14(9)13-8;;;;;/h4-5,12-13H,6-11H2,1-3H3,(H,19,23);4-5,10-11,13H,6-9H2,1-3H3,(H,19,21);4,7-9,11H,5-6H2,1-3H3,(H,17,19);5-8,11-12H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3,(H2,12,16);4-6H,1-3H3,(H,15,16);5*1H4.
What are the key properties of 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane?
1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane has a molecular weight of 1884.49 g/mol, XLogP of 17.37, 13 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butyl-4a,8a-dihydroquinoxalin-2-yl)ethanone;6-tert-butyl-N-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxamide;6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-tert-butyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-tert-butyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-b]pyridazine-3-carboxylate;methane is sourced from PubChem (CID 161304422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).