2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine

C220H293N41O11S2 — CID 157322771

IUPAC2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine
SMILESCC(C)C1=NC2=NC=NC(=O)C2N1C(C)C.CC(C)C1=Nc2ccccc2CN1C(C)C.CC(C)C1=Nc2ccccc2S(=O)(=O)N1C(C)C.CC(C)c1[nH]c2ncccc2c(=O)c1C(C)C.CC(C)c1cc2ccccc2c(=O)n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cn2ccccc2c1C(C)C.CC(C)c1cnc(-c2ccccc2)nc1C(C)C.CC(C)c1nc2[nH]ncc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2n1C(C)C.CC(C)c1nc2ccccc2nc1C(C)C.CC(C)c1nc2ccccn2c(=O)c1C(C)C.CC(C)c1nc2n[nH]nc2c(=O)n1C(C)C.CC(C)c1nc2ncncc2n1C(C)C.CC(C)c1nc2sccc2c(=O)n1C(C)C.Cc1nc2ncccc2c(=O)n1C
InChIInChI=1S/C16H20N2.C15H19NO.C15H19N.3C14H18N2O.C14H20N2.C14H18N2.C14H19N.C13H18N2O2S.C13H18N2.C12H16N2OS.2C11H16N4O.C11H16N4.C10H15N5O.C9H9N3O/c1-11(2)14-10-17-16(18-15(14)12(3)4)13-8-6-5-7-9-13;1-10(2)14-9-12-7-5-6-8-13(12)15(17)16(14)11(3)4;1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-9(2)12-13(10(3)4)15-11-7-5-6-8-16(11)14(12)17;1-9(2)13-15-12-8-6-5-7-11(12)14(17)16(13)10(3)4;1-8(2)11-12(9(3)4)16-14-10(13(11)17)6-5-7-15-14;1-10(2)14-15-13-8-6-5-7-12(13)9-16(14)11(3)4;1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15-13;1-10(2)12-9-15-8-6-5-7-13(15)14(12)11(3)4;1-9(2)13-14-11-7-5-6-8-12(11)18(16,17)15(13)10(3)4;1-9(2)13-14-11-7-5-6-8-12(11)15(13)10(3)4;1-7(2)10-13-11-9(5-6-16-11)12(15)14(10)8(3)4;1-6(2)10-14-9-8(15(10)7(3)4)11(16)13-5-12-9;1-6(2)10-13-9-8(5-12-14-9)11(16)15(10)7(3)4;1-7(2)11-14-10-9(5-12-6-13-10)15(11)8(3)4;1-5(2)9-11-8-7(12-14-13-8)10(16)15(9)6(3)4;1-6-11-8-7(4-3-5-10-8)9(13)12(6)2/h5-12H,1-4H3;5-11H,1-4H3;5-11H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3,(H,15,16,17);5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;5-11H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,12,14);5-8H,1-4H3;5-6H,1-4H3,(H,12,13,14);3-5H,1-2H3
InChIKeyBEJDAWHSKLBJBG-UHFFFAOYSA-N
MW3752.17 g/mol
LogP50.45
Rot. Bonds33

About 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine

2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine (PubChem CID 157322771) has the molecular formula C220H293N41O11S2 and a molecular weight of 3752.17 g/mol. Its IUPAC name is 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine
PubChem CID157322771
Molecular FormulaC220H293N41O11S2
Molecular Weight3752.17 g/mol
Exact Mass3749.31
IUPAC Name2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine
SMILESCC(C)C1=NC2=NC=NC(=O)C2N1C(C)C.CC(C)C1=Nc2ccccc2CN1C(C)C.CC(C)C1=Nc2ccccc2S(=O)(=O)N1C(C)C.CC(C)c1[nH]c2ncccc2c(=O)c1C(C)C.CC(C)c1cc2ccccc2c(=O)n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cn2ccccc2c1C(C)C.CC(C)c1cnc(-c2ccccc2)nc1C(C)C.CC(C)c1nc2[nH]ncc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2n1C(C)C.CC(C)c1nc2ccccc2nc1C(C)C.CC(C)c1nc2ccccn2c(=O)c1C(C)C.CC(C)c1nc2n[nH]nc2c(=O)n1C(C)C.CC(C)c1nc2ncncc2n1C(C)C.CC(C)c1nc2sccc2c(=O)n1C(C)C.Cc1nc2ncccc2c(=O)n1C
InChIInChI=1S/C16H20N2.C15H19NO.C15H19N.3C14H18N2O.C14H20N2.C14H18N2.C14H19N.C13H18N2O2S.C13H18N2.C12H16N2OS.2C11H16N4O.C11H16N4.C10H15N5O.C9H9N3O/c1-11(2)14-10-17-16(18-15(14)12(3)4)13-8-6-5-7-9-13;1-10(2)14-9-12-7-5-6-8-13(12)15(17)16(14)11(3)4;1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-9(2)12-13(10(3)4)15-11-7-5-6-8-16(11)14(12)17;1-9(2)13-15-12-8-6-5-7-11(12)14(17)16(13)10(3)4;1-8(2)11-12(9(3)4)16-14-10(13(11)17)6-5-7-15-14;1-10(2)14-15-13-8-6-5-7-12(13)9-16(14)11(3)4;1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15-13;1-10(2)12-9-15-8-6-5-7-13(15)14(12)11(3)4;1-9(2)13-14-11-7-5-6-8-12(11)18(16,17)15(13)10(3)4;1-9(2)13-14-11-7-5-6-8-12(11)15(13)10(3)4;1-7(2)10-13-11-9(5-6-16-11)12(15)14(10)8(3)4;1-6(2)10-14-9-8(15(10)7(3)4)11(16)13-5-12-9;1-6(2)10-13-9-8(5-12-14-9)11(16)15(10)7(3)4;1-7(2)11-14-10-9(5-12-6-13-10)15(11)8(3)4;1-5(2)9-11-8-7(12-14-13-8)10(16)15(9)6(3)4;1-6-11-8-7(4-3-5-10-8)9(13)12(6)2/h5-12H,1-4H3;5-11H,1-4H3;5-11H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3,(H,15,16,17);5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;5-11H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,12,14);5-8H,1-4H3;5-6H,1-4H3,(H,12,13,14);3-5H,1-2H3
InChIKeyBEJDAWHSKLBJBG-UHFFFAOYSA-N
XLogP50.45
TPSA612.72 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003752.17
LogP ≤ 550.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Analyze 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine with MolForge

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Related Compounds

methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
CID 157708656
CID 157708656
1H-benzimidazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[2-(1,1-difluoroethyl)-3-fluorophenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;isoquinolin-8-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-2-pyridinyl)methanone
CID 158086590
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 158388376
CID 160104624
CID 160104624
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 160978215
CID 161135533
CID 161135533
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanimine
CID 162287467
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287555
ethane;N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145664819

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine?
The IUPAC name of 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine (CID 157322771) is 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine?
The canonical SMILES for 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine is CC(C)C1=NC2=NC=NC(=O)C2N1C(C)C.CC(C)C1=Nc2ccccc2CN1C(C)C.CC(C)C1=Nc2ccccc2S(=O)(=O)N1C(C)C.CC(C)c1[nH]c2ncccc2c(=O)c1C(C)C.CC(C)c1cc2ccccc2c(=O)n1C(C)C.CC(C)c1cc2ccccc2nc1C(C)C.CC(C)c1cn2ccccc2c1C(C)C.CC(C)c1cnc(-c2ccccc2)nc1C(C)C.CC(C)c1nc2[nH]ncc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2c(=O)n1C(C)C.CC(C)c1nc2ccccc2n1C(C)C.CC(C)c1nc2ccccc2nc1C(C)C.CC(C)c1nc2ccccn2c(=O)c1C(C)C.CC(C)c1nc2n[nH]nc2c(=O)n1C(C)C.CC(C)c1nc2ncncc2n1C(C)C.CC(C)c1nc2sccc2c(=O)n1C(C)C.Cc1nc2ncccc2c(=O)n1C.
What is the InChIKey of 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine?
The InChIKey is BEJDAWHSKLBJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C15H19NO.C15H19N.3C14H18N2O.C14H20N2.C14H18N2.C14H19N.C13H18N2O2S.C13H18N2.C12H16N2OS.2C11H16N4O.C11H16N4.C10H15N5O.C9H9N3O/c1-11(2)14-10-17-16(18-15(14)12(3)4)13-8-6-5-7-9-13;1-10(2)14-9-12-7-5-6-8-13(12)15(17)16(14)11(3)4;1-10(2)13-9-12-7-5-6-8-14(12)16-15(13)11(3)4;1-9(2)12-13(10(3)4)15-11-7-5-6-8-16(11)14(12)17;1-9(2)13-15-12-8-6-5-7-11(12)14(17)16(13)10(3)4;1-8(2)11-12(9(3)4)16-14-10(13(11)17)6-5-7-15-14;1-10(2)14-15-13-8-6-5-7-12(13)9-16(14)11(3)4;1-9(2)13-14(10(3)4)16-12-8-6-5-7-11(12)15-13;1-10(2)12-9-15-8-6-5-7-13(15)14(12)11(3)4;1-9(2)13-14-11-7-5-6-8-12(11)18(16,17)15(13)10(3)4;1-9(2)13-14-11-7-5-6-8-12(11)15(13)10(3)4;1-7(2)10-13-11-9(5-6-16-11)12(15)14(10)8(3)4;1-6(2)10-14-9-8(15(10)7(3)4)11(16)13-5-12-9;1-6(2)10-13-9-8(5-12-14-9)11(16)15(10)7(3)4;1-7(2)11-14-10-9(5-12-6-13-10)15(11)8(3)4;1-5(2)9-11-8-7(12-14-13-8)10(16)15(9)6(3)4;1-6-11-8-7(4-3-5-10-8)9(13)12(6)2/h5-12H,1-4H3;5-11H,1-4H3;5-11H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3,(H,15,16,17);5-8,10-11H,9H2,1-4H3;5-10H,1-4H3;5-11H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,12,14);5-8H,1-4H3;5-6H,1-4H3,(H,12,13,14);3-5H,1-2H3.
What are the key properties of 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine?
2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine has a molecular weight of 3752.17 g/mol, XLogP of 50.45, 33 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrido[2,3-d]pyrimidin-4-one;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)indolizine;2,3-di(propan-2-yl)isoquinolin-1-one;2,3-di(propan-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,3-di(propan-2-yl)-1H-1,8-naphthyridin-4-one;7,8-di(propan-2-yl)purine;7,8-di(propan-2-yl)-5H-purin-6-one;5,6-di(propan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one;2,3-di(propan-2-yl)pyrido[1,2-a]pyrimidin-4-one;2,3-di(propan-2-yl)-4H-quinazoline;2,3-di(propan-2-yl)quinazolin-4-one;2,3-di(propan-2-yl)quinoline;2,3-di(propan-2-yl)quinoxaline;2,3-di(propan-2-yl)thieno[2,3-d]pyrimidin-4-one;5,6-di(propan-2-yl)-2H-triazolo[4,5-d]pyrimidin-7-one;2-phenyl-4,5-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 157322771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).