7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

C124H166ClFN58O4 — CID 157119704

IUPAC7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)c1ccc2c(N)ccnn12.CC(C)c1cnc2c(N)ccnn12.CC(C)c1cnn2c(N)ncnc12.CC(C)n1cc(F)c2c(N)ccnc21.CC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.CCOC1=NC(C)=NC2C1N=CN2C(C)C.Cc1nc2c(C(C)C)cnn2c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N4O.C10H12FN3.2C10H13N3.2C9H12N4O.2C9H12N4.C8H9ClN4.3C8H11N5.C8H10N4O.C7H10N6/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)9-3-4-10-8(11)5-6-12-13(9)10;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-4-10-13-8(7)11-6(3)12-9(13)14;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)8-5-11-9-7(10)3-4-12-13(8)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)6-3-12-13-7(6)10-4-11-8(13)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7/h6-7,9-10H,5H2,1-4H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3,(H2,11,12);3-7H,11H2,1-2H3;2*4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);3-6H,10H2,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H2,8,9,10)
InChIKeyAHVBESNVWNMUAH-UHFFFAOYSA-N
MW2587.54 g/mol
LogP18.72
Rot. Bonds15

About 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine

7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 157119704) has the molecular formula C124H166ClFN58O4 and a molecular weight of 2587.54 g/mol. Its IUPAC name is 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID157119704
Molecular FormulaC124H166ClFN58O4
Molecular Weight2587.54 g/mol
Exact Mass2585.42
IUPAC Name7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)c1ccc2c(N)ccnn12.CC(C)c1cnc2c(N)ccnn12.CC(C)c1cnn2c(N)ncnc12.CC(C)n1cc(F)c2c(N)ccnc21.CC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.CCOC1=NC(C)=NC2C1N=CN2C(C)C.Cc1nc2c(C(C)C)cnn2c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N4O.C10H12FN3.2C10H13N3.2C9H12N4O.2C9H12N4.C8H9ClN4.3C8H11N5.C8H10N4O.C7H10N6/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)9-3-4-10-8(11)5-6-12-13(9)10;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-4-10-13-8(7)11-6(3)12-9(13)14;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)8-5-11-9-7(10)3-4-12-13(8)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)6-3-12-13-7(6)10-4-11-8(13)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7/h6-7,9-10H,5H2,1-4H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3,(H2,11,12);3-7H,11H2,1-2H3;2*4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);3-6H,10H2,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H2,8,9,10)
InChIKeyAHVBESNVWNMUAH-UHFFFAOYSA-N
XLogP18.72
TPSA818.13 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds15
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002587.54
LogP ≤ 518.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Analyze 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine with MolForge

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Related Compounds

Ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate
CID 139487829
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605216
US10065963, Example 145
CID 129098006
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
8-[benzyl(methyl)amino]-N-[(1R,2S)-2-fluorocyclopropyl]-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605314
8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157170421
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157225219
2-amino-6-chloro-N-(4-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157592250
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
[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[8-tert-butyl-6-(4-fluorophenyl)-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 157755850
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 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine (CID 157119704) is 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is CC(C)c1ccc2c(N)ccnn12.CC(C)c1cnc2c(N)ccnn12.CC(C)c1cnn2c(N)ncnc12.CC(C)n1cc(F)c2c(N)ccnc21.CC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]cnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.CC(C)n1nnc2c(N)ncnc21.CCOC1=NC(C)=NC2C1N=CN2C(C)C.Cc1nc2c(C(C)C)cnn2c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is AHVBESNVWNMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.C10H12FN3.2C10H13N3.2C9H12N4O.2C9H12N4.C8H9ClN4.3C8H11N5.C8H10N4O.C7H10N6/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)9-3-4-10-8(11)5-6-12-13(9)10;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-4-10-13-8(7)11-6(3)12-9(13)14;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)8-5-11-9-7(10)3-4-12-13(8)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)6-3-12-13-7(6)10-4-11-8(13)9;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-5(2)12-4-11-6-7(12)9-3-10-8(6)13;1-4(2)13-7-5(11-12-13)6(8)9-3-10-7/h6-7,9-10H,5H2,1-4H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3,(H2,11,12);3-7H,11H2,1-2H3;2*4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);3-6H,10H2,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3,(H2,9,10,11);3-5H,1-2H3,(H2,9,10);3-5H,1-2H3,(H,9,10,13);3-4H,1-2H3,(H2,8,9,10).
What are the key properties of 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine?
7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 2587.54 g/mol, XLogP of 18.72, 15 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-yl-4,5-dihydropurine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-1H-purin-6-one;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 157119704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).