2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C116H176ClF6N21O3 — CID 158575978

IUPAC2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(=O)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)(C)c1cc(NC2COC2)nc(C(F)(F)F)n1.CC(C)(C)c1cn2nc(Cl)ccc2n1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCN(CC(F)(F)F)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1cnc(CC2CN(C)C2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C19H30N4O.C17H25F3N2.C16H26N2.2C15H24N2.C12H16F3N3O.C12H19N3O.C10H12ClN3/c1-14(24)22-8-10-23(11-9-22)18-13-15(19(2,3)4)12-17(21-18)20-16-6-5-7-16;1-12-9-21-14(8-15(12)16(2,3)4)7-13-5-6-22(10-13)11-17(18,19)20;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-8-16-13(6-12-9-17(5)10-12)7-14(11)15(2,3)4;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-11(2,3)8-4-9(16-7-5-19-6-7)18-10(17-8)12(13,14)15;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9;1-10(2,3)7-6-14-9(12-7)5-4-8(11)13-14/h12-13,16H,5-11H2,1-4H3,(H,20,21);8-9,13H,5-7,10-11H2,1-4H3;9-10,13H,6-8,11H2,1-5H3;7-8,12H,6,9-10H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;4,7H,5-6H2,1-3H3,(H,16,17,18);5,9H,6-7H2,1-4H3,(H,13,14,15);4-6H,1-3H3
InChIKeyHSQWJYUHDHUCGY-UHFFFAOYSA-N
MW2062.27 g/mol
LogP23.12
Rot. Bonds16

About 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 158575978) has the molecular formula C116H176ClF6N21O3 and a molecular weight of 2062.27 g/mol. Its IUPAC name is 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID158575978
Molecular FormulaC116H176ClF6N21O3
Molecular Weight2062.27 g/mol
Exact Mass2060.39
IUPAC Name2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(=O)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)(C)c1cc(NC2COC2)nc(C(F)(F)F)n1.CC(C)(C)c1cn2nc(Cl)ccc2n1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCN(CC(F)(F)F)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1cnc(CC2CN(C)C2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C19H30N4O.C17H25F3N2.C16H26N2.2C15H24N2.C12H16F3N3O.C12H19N3O.C10H12ClN3/c1-14(24)22-8-10-23(11-9-22)18-13-15(19(2,3)4)12-17(21-18)20-16-6-5-7-16;1-12-9-21-14(8-15(12)16(2,3)4)7-13-5-6-22(10-13)11-17(18,19)20;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-8-16-13(6-12-9-17(5)10-12)7-14(11)15(2,3)4;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-11(2,3)8-4-9(16-7-5-19-6-7)18-10(17-8)12(13,14)15;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9;1-10(2,3)7-6-14-9(12-7)5-4-8(11)13-14/h12-13,16H,5-11H2,1-4H3,(H,20,21);8-9,13H,5-7,10-11H2,1-4H3;9-10,13H,6-8,11H2,1-5H3;7-8,12H,6,9-10H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;4,7H,5-6H2,1-3H3,(H,16,17,18);5,9H,6-7H2,1-4H3,(H,13,14,15);4-6H,1-3H3
InChIKeyHSQWJYUHDHUCGY-UHFFFAOYSA-N
XLogP23.12
TPSA246.05 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.27
LogP ≤ 523.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]-7-[3-[(2R)-1-[3-(dimethylcarbamoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-2,5-difluorophenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxyazetidine-1-carboxamide
CID 129103666
methyl N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)-2-[(5R)-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]-1-[2-(methoxycarbonylamino)ethyl]piperidin-3-yl]ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]carbamate
CID 134225460
N-[(2S)-1-[(5R)-3-[(2R)-2-[6-[3-[(3R)-1-[(2R)-2-acetamidopropyl]-5-[(2R)-2-(2,4-dichlorophenyl)-2-[6-[3-[(3R)-1-[(2S)-2-hydroxypropyl]piperidin-3-yl]azetidin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]piperidin-3-yl]azetidin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]-2-(2,4-dichlorophenyl)ethyl]-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-yl]acetamide
CID 134225490
N-[2-[(3S)-3-[1-[1-[(1R)-2-[(5S)-1-(2-acetamidoethyl)-5-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-3-yl]-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 134225512
CID 142279209
CID 142279209
N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 157511763
N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 157511764
N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[(3S)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide
CID 157643858
4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide;6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 157701345
N-[2-[3-[1-[3-cyano-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide;N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide
CID 157783320
1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[3-[1-(4-hydroxy-4-methylpentyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile;N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide;N-[2-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide
CID 157785400
2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157865912

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 158575978) is 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(=O)N1CCN(c2cc(C(C)(C)C)cc(NC3CCC3)n2)CC1.CC(C)(C)c1cc(NC2COC2)nc(C(F)(F)F)n1.CC(C)(C)c1cn2nc(Cl)ccc2n1.Cc1cnc(CC2CCN(C)C2)cc1C(C)(C)C.Cc1cnc(CC2CCN(CC(F)(F)F)C2)cc1C(C)(C)C.Cc1cnc(CC2CCNC2)cc1C(C)(C)C.Cc1cnc(CC2CN(C)C2)cc1C(C)(C)C.Cc1nc(NC2COC2)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HSQWJYUHDHUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.C17H25F3N2.C16H26N2.2C15H24N2.C12H16F3N3O.C12H19N3O.C10H12ClN3/c1-14(24)22-8-10-23(11-9-22)18-13-15(19(2,3)4)12-17(21-18)20-16-6-5-7-16;1-12-9-21-14(8-15(12)16(2,3)4)7-13-5-6-22(10-13)11-17(18,19)20;1-12-10-17-14(9-15(12)16(2,3)4)8-13-6-7-18(5)11-13;1-11-8-16-13(6-12-9-17(5)10-12)7-14(11)15(2,3)4;1-11-9-17-13(7-12-5-6-16-10-12)8-14(11)15(2,3)4;1-11(2,3)8-4-9(16-7-5-19-6-7)18-10(17-8)12(13,14)15;1-8-13-10(12(2,3)4)5-11(14-8)15-9-6-16-7-9;1-10(2,3)7-6-14-9(12-7)5-4-8(11)13-14/h12-13,16H,5-11H2,1-4H3,(H,20,21);8-9,13H,5-7,10-11H2,1-4H3;9-10,13H,6-8,11H2,1-5H3;7-8,12H,6,9-10H2,1-5H3;8-9,12,16H,5-7,10H2,1-4H3;4,7H,5-6H2,1-3H3,(H,16,17,18);5,9H,6-7H2,1-4H3,(H,13,14,15);4-6H,1-3H3.
What are the key properties of 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 2062.27 g/mol, XLogP of 23.12, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 158575978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).