2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile

C140H138N42O22S2 — CID 158666963

IUPAC2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile
SMILESCc1ccc([C@H]2C[C@H](c3noc(CN4C(=O)Cc5ncn(C)c5C4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc(=O)c5cccnc54)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)ncc(C)c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)sc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)sc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4nc(C#N)c5ncn(C)c5c4=O)n3)CO2)cc1.Cc1cccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5ncc(C)c5c4=O)n3)CO2)c1
InChIInChI=1S/C21H19N7O3.C21H20N6O3.C21H21N5O4.C20H21N7O3.2C19H18N6O3S.C19H21N5O3/c1-12-3-5-13(6-4-12)16-7-14(10-30-16)20-24-17(31-26-20)9-28-21(29)19-18(15(8-22)25-28)23-11-27(19)2;1-12-4-6-13(7-5-12)16-9-14(11-29-16)18-24-17(30-26-18)10-27-19-15(3-2-8-23-19)20(28)25-21(27)22;1-12-3-5-13(6-4-12)16-7-14(10-29-16)20-23-17(30-24-20)9-26-18(27)8-15-19(21(26)28)25(2)11-22-15;1-11-4-3-5-13(6-11)15-7-14(10-29-15)18-23-16(30-25-18)9-26-19(28)17-12(2)8-22-27(17)24-20(26)21;2*1-10-2-4-11(5-3-10)13-6-12(8-27-13)16-22-14(28-24-16)7-25-9-21-17-15(18(25)26)29-19(20)23-17;1-11-3-5-13(6-4-11)15-7-14(10-26-15)17-22-16(27-23-17)9-24-18(25)12(2)8-21-19(24)20/h3-6,11,14,16H,7,9-10H2,1-2H3;2-8,14,16H,9-11H2,1H3,(H2,22,25,28);3-6,11,14,16H,7-10H2,1-2H3;3-6,8,14-15H,7,9-10H2,1-2H3,(H2,21,24);2*2-5,9,12-13H,6-8H2,1H3,(H2,20,23);3-6,8,14-15H,7,9-10H2,1-2H3,(H2,20,21)/t3*14-,16+;14-,15+;2*12-,13+;14-,15+/m0000000/s1
InChIKeyIDMALDORKVSXDS-PUCFLSPTSA-N
MW2825.05 g/mol
LogP15.15
Rot. Bonds28

About 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile

2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile (PubChem CID 158666963) has the molecular formula C140H138N42O22S2 and a molecular weight of 2825.05 g/mol. Its IUPAC name is 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile
PubChem CID158666963
Molecular FormulaC140H138N42O22S2
Molecular Weight2825.05 g/mol
Exact Mass2823.04
IUPAC Name2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile
SMILESCc1ccc([C@H]2C[C@H](c3noc(CN4C(=O)Cc5ncn(C)c5C4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc(=O)c5cccnc54)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)ncc(C)c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)sc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)sc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4nc(C#N)c5ncn(C)c5c4=O)n3)CO2)cc1.Cc1cccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5ncc(C)c5c4=O)n3)CO2)c1
InChIInChI=1S/C21H19N7O3.C21H20N6O3.C21H21N5O4.C20H21N7O3.2C19H18N6O3S.C19H21N5O3/c1-12-3-5-13(6-4-12)16-7-14(10-30-16)20-24-17(31-26-20)9-28-21(29)19-18(15(8-22)25-28)23-11-27(19)2;1-12-4-6-13(7-5-12)16-9-14(11-29-16)18-24-17(30-26-18)10-27-19-15(3-2-8-23-19)20(28)25-21(27)22;1-12-3-5-13(6-4-12)16-7-14(10-29-16)20-23-17(30-24-20)9-26-18(27)8-15-19(21(26)28)25(2)11-22-15;1-11-4-3-5-13(6-11)15-7-14(10-29-15)18-23-16(30-25-18)9-26-19(28)17-12(2)8-22-27(17)24-20(26)21;2*1-10-2-4-11(5-3-10)13-6-12(8-27-13)16-22-14(28-24-16)7-25-9-21-17-15(18(25)26)29-19(20)23-17;1-11-3-5-13(6-4-11)15-7-14(10-26-15)17-22-16(27-23-17)9-24-18(25)12(2)8-21-19(24)20/h3-6,11,14,16H,7,9-10H2,1-2H3;2-8,14,16H,9-11H2,1H3,(H2,22,25,28);3-6,11,14,16H,7-10H2,1-2H3;3-6,8,14-15H,7,9-10H2,1-2H3,(H2,21,24);2*2-5,9,12-13H,6-8H2,1H3,(H2,20,23);3-6,8,14-15H,7,9-10H2,1-2H3,(H2,20,21)/t3*14-,16+;14-,15+;2*12-,13+;14-,15+/m0000000/s1
InChIKeyIDMALDORKVSXDS-PUCFLSPTSA-N
XLogP15.15
TPSA829.27 Ų
H-Bond Donors5
H-Bond Acceptors65
Rotatable Bonds28
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002825.05
LogP ≤ 515.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile?
The IUPAC name of 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile (CID 158666963) is 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile is Cc1ccc([C@H]2C[C@H](c3noc(CN4C(=O)Cc5ncn(C)c5C4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc(=O)c5cccnc54)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)ncc(C)c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)sc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(N)sc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4nc(C#N)c5ncn(C)c5c4=O)n3)CO2)cc1.Cc1cccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5ncc(C)c5c4=O)n3)CO2)c1.
What is the InChIKey of 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile?
The InChIKey is IDMALDORKVSXDS-PUCFLSPTSA-N. The full InChI is InChI=1S/C21H19N7O3.C21H20N6O3.C21H21N5O4.C20H21N7O3.2C19H18N6O3S.C19H21N5O3/c1-12-3-5-13(6-4-12)16-7-14(10-30-16)20-24-17(31-26-20)9-28-21(29)19-18(15(8-22)25-28)23-11-27(19)2;1-12-4-6-13(7-5-12)16-9-14(11-29-16)18-24-17(30-26-18)10-27-19-15(3-2-8-23-19)20(28)25-21(27)22;1-12-3-5-13(6-4-12)16-7-14(10-29-16)20-23-17(30-24-20)9-26-18(27)8-15-19(21(26)28)25(2)11-22-15;1-11-4-3-5-13(6-11)15-7-14(10-29-15)18-23-16(30-25-18)9-26-19(28)17-12(2)8-22-27(17)24-20(26)21;2*1-10-2-4-11(5-3-10)13-6-12(8-27-13)16-22-14(28-24-16)7-25-9-21-17-15(18(25)26)29-19(20)23-17;1-11-3-5-13(6-4-11)15-7-14(10-26-15)17-22-16(27-23-17)9-24-18(25)12(2)8-21-19(24)20/h3-6,11,14,16H,7,9-10H2,1-2H3;2-8,14,16H,9-11H2,1H3,(H2,22,25,28);3-6,11,14,16H,7-10H2,1-2H3;3-6,8,14-15H,7,9-10H2,1-2H3,(H2,21,24);2*2-5,9,12-13H,6-8H2,1H3,(H2,20,23);3-6,8,14-15H,7,9-10H2,1-2H3,(H2,20,21)/t3*14-,16+;14-,15+;2*12-,13+;14-,15+/m0000000/s1.
What are the key properties of 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile?
2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile has a molecular weight of 2825.05 g/mol, XLogP of 15.15, 28 rotatable bonds, 5 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one;2-amino-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-imidazo[4,5-c]pyridine-4,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile is sourced from PubChem (CID 158666963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).