7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C150H203ClF3N63O10 — CID 163456079

IUPAC7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESC.C.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(Cl)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.C10H12FN3O.C10H14N4.3C10H13N3O.C9H10ClN3.C9H11FN4O.C9H11FN4.2C9H13N5.2C9H12N4O.C8H11N5O.C8H11N5.C8H10N4O.2CH4/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;;/h6-7H,5H2,1-4H3;4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);3-6H,1-2H3;4H,1-3H3,(H,11,12,15);3-5H,1-2H3,(H2,11,12);2*4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);2*1H4
InChIKeyBKPFETVKHHXDRT-UHFFFAOYSA-N
MW3141.15 g/mol
LogP24.05
Rot. Bonds19

About 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 163456079) has the molecular formula C150H203ClF3N63O10 and a molecular weight of 3141.15 g/mol. Its IUPAC name is 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID163456079
Molecular FormulaC150H203ClF3N63O10
Molecular Weight3141.15 g/mol
Exact Mass3138.70
IUPAC Name7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESC.C.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(Cl)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.C10H12FN3O.C10H14N4.3C10H13N3O.C9H10ClN3.C9H11FN4O.C9H11FN4.2C9H13N5.2C9H12N4O.C8H11N5O.C8H11N5.C8H10N4O.2CH4/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;;/h6-7H,5H2,1-4H3;4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);3-6H,1-2H3;4H,1-3H3,(H,11,12,15);3-5H,1-2H3,(H2,11,12);2*4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);2*1H4
InChIKeyBKPFETVKHHXDRT-UHFFFAOYSA-N
XLogP24.05
TPSA925.67 Ų
H-Bond Donors13
H-Bond Acceptors64
Rotatable Bonds19
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003141.15
LogP ≤ 524.05
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1064

Analyze 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

2-amino-N-[6-chloro-4-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(6-chloro-4-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158103714
2-amino-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 159145624
5-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methoxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-methyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide;5-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
CID 159387256
2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-pyridin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160694586
2-amino-N-[6-chloro-4-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(5-chloro-4-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(6-chloro-4-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160949892
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(oxan-4-yloxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161894112
N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone
CID 162011709
2-amino-5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162133841
N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 167500963
2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157116318
2-amino-9-propan-2-yl-1H-purin-6-one;2-amino-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;6-ethoxy-9-propan-2-ylpurin-2-amine;3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;methane;2-methyl-9-propan-2-ylpurin-6-amine;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;7-propan-2-ylimidazo[4,5-c]pyridazin-4-amine;3-propan-2-ylimidazo[4,5-c]pyridin-7-amine;3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;bis(3-propan-2-yltriazolo[4,5-b]pyridin-7-amine)
CID 157158990
8-bromo-9-tert-butyl-2-methyl-1H-purin-6-one;9-tert-butyl-6-chloropurine;9-tert-butyl-6-ethoxy-2-methylpurine;7-tert-butyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-amine;3-tert-butyl-6H-imidazo[4,5-b]pyridin-7-one;7-tert-butylimidazo[4,5-d]triazin-4-amine;7-tert-butylimidazo[2,1-f][1,2,4]triazin-4-amine;9-tert-butyl-2-methyl-1H-purin-6-one;8-tert-butyl-2-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;9-tert-butylpurin-6-amine;8-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-tert-butyltriazolo[4,5-b]pyridin-7-amine;1-tert-butyltriazolo[4,5-c]pyridin-4-amine;3-tert-butyltriazolo[4,5-d]pyrimidin-7-amine
CID 157165176

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 163456079) is 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is C.C.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(Cl)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is BKPFETVKHHXDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.C10H12FN3O.C10H14N4.3C10H13N3O.C9H10ClN3.C9H11FN4O.C9H11FN4.2C9H13N5.2C9H12N4O.C8H11N5O.C8H11N5.C8H10N4O.2CH4/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;;/h6-7H,5H2,1-4H3;4-5H,1-3H3,(H,12,13,15);5-7H,4H2,1-3H3;2*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);3-6H,1-2H3;4H,1-3H3,(H,11,12,15);3-5H,1-2H3,(H2,11,12);2*4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);2*1H4.
What are the key properties of 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 3141.15 g/mol, XLogP of 24.05, 19 rotatable bonds, 13 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 163456079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).