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

C144H186Cl2F3N63O9 — CID 158116255

IUPAC6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ccc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2nnn(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(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H12FN3O.5C10H13N3O.C9H11FN4O.C9H13N5.C9H12N4.C9H11N3O.2C8H9ClN4.C8H10FN5.C8H12N6.C8H11N5O.C8H11N5/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;3*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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)12-5-11-8-7(12)3-4-10-9(8)13;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)14-8-6(12-13-14)7(9)10-5(3)11-8;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8/h4-5H,1-3H3,(H,12,13,15);4*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3-6H,1-2H3,(H2,10,11);3-6H,1-2H3,(H,10,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H2,9,10,11);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10)
InChIKeyFRAQONHIIBQHCB-UHFFFAOYSA-N
MW3071.40 g/mol
LogP22.50
Rot. Bonds16

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

6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine (PubChem CID 158116255) has the molecular formula C144H186Cl2F3N63O9 and a molecular weight of 3071.40 g/mol. Its IUPAC name is 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
PubChem CID158116255
Molecular FormulaC144H186Cl2F3N63O9
Molecular Weight3071.40 g/mol
Exact Mass3068.54
IUPAC Name6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ccc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2nnn(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(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H12FN3O.5C10H13N3O.C9H11FN4O.C9H13N5.C9H12N4.C9H11N3O.2C8H9ClN4.C8H10FN5.C8H12N6.C8H11N5O.C8H11N5/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;3*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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)12-5-11-8-7(12)3-4-10-9(8)13;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)14-8-6(12-13-14)7(9)10-5(3)11-8;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8/h4-5H,1-3H3,(H,12,13,15);4*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3-6H,1-2H3,(H2,10,11);3-6H,1-2H3,(H,10,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H2,9,10,11);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10)
InChIKeyFRAQONHIIBQHCB-UHFFFAOYSA-N
XLogP22.50
TPSA930.09 Ų
H-Bond Donors14
H-Bond Acceptors63
Rotatable Bonds16
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003071.40
LogP ≤ 522.50
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1063

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyrazine-5,7-dione;6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyridine-5,7-dione;3-(4-fluoro-3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(2-methyl-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-6-yl)piperidine-2,6-dione
CID 167676231
[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[3-chloro-4-(trifluoromethyl)-2-pyridinyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[4-chloro-5-(trifluoromethyl)-3-pyridinyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408817
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
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
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
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[3-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132059
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 157141055
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-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;3-[2-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]piperazine-1-carbonyl]piperidin-1-yl]propanoic acid;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;1-[1-[(2,4-dichlorophenyl)methyl]-6-[4-(piperidine-2-carbonyl)piperazin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;1-[1-[(2,4-dichlorophenyl)methyl]-6-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride
CID 157784198
4-(5-chloro-2-pyridinyl)-N-ethyl-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-N,4-diphenyl-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-4-phenyl-N-(2,2,2-trifluoroethyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-phenyl-10-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 157921080
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158244579
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propan-2-ylpyrrolidine-2-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2S)-1-[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;molecular hydrogen
CID 158360343

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine (CID 158116255) is 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine is CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ccc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1nnc2c(Cl)ccnc21.CC(C)n1nnc2c(N)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2nnn(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(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The InChIKey is FRAQONHIIBQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O.5C10H13N3O.C9H11FN4O.C9H13N5.C9H12N4.C9H11N3O.2C8H9ClN4.C8H10FN5.C8H12N6.C8H11N5O.C8H11N5/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;3*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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)12-5-11-8-7(12)3-4-10-9(8)13;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)14-8-6(12-13-14)7(9)10-5(3)11-8;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8/h4-5H,1-3H3,(H,12,13,15);4*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);3-6H,1-2H3,(H2,10,11);3-6H,1-2H3,(H,10,13);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H2,9,10,11);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10).
What are the key properties of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine has a molecular weight of 3071.40 g/mol, XLogP of 22.50, 16 rotatable bonds, 14 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;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;8-fluoro-9-propan-2-ylpurin-6-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;tris(6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one);2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 158116255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).