4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole

C212H244Cl4F5N61O11 — CID 160978423

IUPAC4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole
SMILESCN1C(=O)C(=O)c2ccccc21.CN1C(=O)C(C)(C)c2ccccc21.CN1C(=O)C(F)(F)c2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2c(cnn2C)C1.CN1CCc2c(ncn2C)C1.CN1CCc2ccccc21.CN1CCc2cnn(C)c2C1.CN1CCc2ncn(C)c2C1.Cc1cc(C)n(C)n1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cnn(C)c1.Cn1c(=O)[nH]c2cccnc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)oc2ccccc21.Cn1c(=O)oc2cccnc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)cn1.Cn1cc2cccnc2n1.Cn1ccc(C(F)(F)F)n1.Cn1ccc2ccc(Cl)nc21.Cn1ccc2cccnc21.Cn1ccc2ccnc(Cl)c21.Cn1ccc2ccncc21.Cn1cccn1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1ncc2cccnc21
InChIInChI=1S/C11H13NO.C9H7F2NO.C9H7NO2.C9H9NO.C9H11N.3C8H7ClN2.C8H9N3O.4C8H13N3.3C8H8N2.C8H7NO2.C7H7N3O.3C7H7N3.C7H6N2O2.C6H10N2.C5H5F3N2.3C5H8N2.C4H5ClN2.C4H6N2/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13;1-12-7-5-3-2-4-6(7)9(10,11)8(12)13;1-10-7-5-3-2-4-6(7)8(11)9(10)12;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-7-6-8-4-2-3-5-9(8)10;1-11-5-3-6-2-4-10-8(9)7(6)11;1-11-5-4-6-2-3-7(9)10-8(6)11;1-11-5-7(9)6-3-2-4-10-8(6)11;1-10-6-4-3-5-9-7(6)11(2)8(10)12;1-10-4-3-8-7(5-10)9-6-11(8)2;1-10-4-3-8-7(6-10)5-9-11(8)2;1-10-4-3-7-8(5-10)11(2)6-9-7;1-10-4-3-7-5-9-11(2)8(7)6-10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(7)10;1-9-6-4-2-3-5-7(6)11-8(9)10;1-10-6-5(9-7(10)11)3-2-4-8-6;1-10-5-9-6-3-2-4-8-7(6)10;1-10-5-6-3-2-4-8-7(6)9-10;1-10-7-6(5-9-10)3-2-4-8-7;1-9-6-5(11-7(9)10)3-2-4-8-6;1-5-4-6(2)8(3)7-5;1-10-3-2-4(9-10)5(6,7)8;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-7-3-4(5)2-6-7;1-6-4-2-3-5-6/h4-7H,1-3H3;2-5H,1H3;2-5H,1H3;2-5H,6H2,1H3;2-5H,6-7H2,1H3;3*2-5H,1H3;3-5H,1-2H3;6H,3-5H2,1-2H3;5H,3-4,6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4,6H2,1-2H3;3*2-6H,1H3;2-5H,1H3;2-4H,1H3,(H,9,11);3*2-5H,1H3;2-4H,1H3;4H,1-3H3;2-3H,1H3;3*3-4H,1-2H3;2-3H,1H3;2-4H,1H3
InChIKeySZEMSJFTLXQIPV-UHFFFAOYSA-N
MW4059.50 g/mol
LogP31.71
Rot. Bonds

About 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole

4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole (PubChem CID 160978423) has the molecular formula C212H244Cl4F5N61O11 and a molecular weight of 4059.50 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole
PubChem CID160978423
Molecular FormulaC212H244Cl4F5N61O11
Molecular Weight4059.50 g/mol
Exact Mass4054.91
IUPAC Name4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole
SMILESCN1C(=O)C(=O)c2ccccc21.CN1C(=O)C(C)(C)c2ccccc21.CN1C(=O)C(F)(F)c2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2c(cnn2C)C1.CN1CCc2c(ncn2C)C1.CN1CCc2ccccc21.CN1CCc2cnn(C)c2C1.CN1CCc2ncn(C)c2C1.Cc1cc(C)n(C)n1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cnn(C)c1.Cn1c(=O)[nH]c2cccnc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)oc2ccccc21.Cn1c(=O)oc2cccnc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)cn1.Cn1cc2cccnc2n1.Cn1ccc(C(F)(F)F)n1.Cn1ccc2ccc(Cl)nc21.Cn1ccc2cccnc21.Cn1ccc2ccnc(Cl)c21.Cn1ccc2ccncc21.Cn1cccn1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1ncc2cccnc21
InChIInChI=1S/C11H13NO.C9H7F2NO.C9H7NO2.C9H9NO.C9H11N.3C8H7ClN2.C8H9N3O.4C8H13N3.3C8H8N2.C8H7NO2.C7H7N3O.3C7H7N3.C7H6N2O2.C6H10N2.C5H5F3N2.3C5H8N2.C4H5ClN2.C4H6N2/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13;1-12-7-5-3-2-4-6(7)9(10,11)8(12)13;1-10-7-5-3-2-4-6(7)8(11)9(10)12;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-7-6-8-4-2-3-5-9(8)10;1-11-5-3-6-2-4-10-8(9)7(6)11;1-11-5-4-6-2-3-7(9)10-8(6)11;1-11-5-7(9)6-3-2-4-10-8(6)11;1-10-6-4-3-5-9-7(6)11(2)8(10)12;1-10-4-3-8-7(5-10)9-6-11(8)2;1-10-4-3-8-7(6-10)5-9-11(8)2;1-10-4-3-7-8(5-10)11(2)6-9-7;1-10-4-3-7-5-9-11(2)8(7)6-10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(7)10;1-9-6-4-2-3-5-7(6)11-8(9)10;1-10-6-5(9-7(10)11)3-2-4-8-6;1-10-5-9-6-3-2-4-8-7(6)10;1-10-5-6-3-2-4-8-7(6)9-10;1-10-7-6(5-9-10)3-2-4-8-7;1-9-6-5(11-7(9)10)3-2-4-8-6;1-5-4-6(2)8(3)7-5;1-10-3-2-4(9-10)5(6,7)8;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-7-3-4(5)2-6-7;1-6-4-2-3-5-6/h4-7H,1-3H3;2-5H,1H3;2-5H,1H3;2-5H,6H2,1H3;2-5H,6-7H2,1H3;3*2-5H,1H3;3-5H,1-2H3;6H,3-5H2,1-2H3;5H,3-4,6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4,6H2,1-2H3;3*2-6H,1H3;2-5H,1H3;2-4H,1H3,(H,9,11);3*2-5H,1H3;2-4H,1H3;4H,1-3H3;2-3H,1H3;3*3-4H,1-2H3;2-3H,1H3;2-4H,1H3
InChIKeySZEMSJFTLXQIPV-UHFFFAOYSA-N
XLogP31.71
TPSA683.25 Ų
H-Bond Donors1
H-Bond Acceptors67
Rotatable Bonds
Heavy Atoms293
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004059.50
LogP ≤ 531.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole?
The IUPAC name of 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole (CID 160978423) is 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole?
The canonical SMILES for 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole is CN1C(=O)C(=O)c2ccccc21.CN1C(=O)C(C)(C)c2ccccc21.CN1C(=O)C(F)(F)c2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2c(cnn2C)C1.CN1CCc2c(ncn2C)C1.CN1CCc2ccccc21.CN1CCc2cnn(C)c2C1.CN1CCc2ncn(C)c2C1.Cc1cc(C)n(C)n1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cnn(C)c1.Cn1c(=O)[nH]c2cccnc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)oc2ccccc21.Cn1c(=O)oc2cccnc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)cn1.Cn1cc2cccnc2n1.Cn1ccc(C(F)(F)F)n1.Cn1ccc2ccc(Cl)nc21.Cn1ccc2cccnc21.Cn1ccc2ccnc(Cl)c21.Cn1ccc2ccncc21.Cn1cccn1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1ncc2cccnc21.
What is the InChIKey of 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole?
The InChIKey is SZEMSJFTLXQIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C9H7F2NO.C9H7NO2.C9H9NO.C9H11N.3C8H7ClN2.C8H9N3O.4C8H13N3.3C8H8N2.C8H7NO2.C7H7N3O.3C7H7N3.C7H6N2O2.C6H10N2.C5H5F3N2.3C5H8N2.C4H5ClN2.C4H6N2/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13;1-12-7-5-3-2-4-6(7)9(10,11)8(12)13;1-10-7-5-3-2-4-6(7)8(11)9(10)12;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-7-6-8-4-2-3-5-9(8)10;1-11-5-3-6-2-4-10-8(9)7(6)11;1-11-5-4-6-2-3-7(9)10-8(6)11;1-11-5-7(9)6-3-2-4-10-8(6)11;1-10-6-4-3-5-9-7(6)11(2)8(10)12;1-10-4-3-8-7(5-10)9-6-11(8)2;1-10-4-3-8-7(6-10)5-9-11(8)2;1-10-4-3-7-8(5-10)11(2)6-9-7;1-10-4-3-7-5-9-11(2)8(7)6-10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(7)10;1-9-6-4-2-3-5-7(6)11-8(9)10;1-10-6-5(9-7(10)11)3-2-4-8-6;1-10-5-9-6-3-2-4-8-7(6)10;1-10-5-6-3-2-4-8-7(6)9-10;1-10-7-6(5-9-10)3-2-4-8-7;1-9-6-5(11-7(9)10)3-2-4-8-6;1-5-4-6(2)8(3)7-5;1-10-3-2-4(9-10)5(6,7)8;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-7-3-4(5)2-6-7;1-6-4-2-3-5-6/h4-7H,1-3H3;2-5H,1H3;2-5H,1H3;2-5H,6H2,1H3;2-5H,6-7H2,1H3;3*2-5H,1H3;3-5H,1-2H3;6H,3-5H2,1-2H3;5H,3-4,6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4,6H2,1-2H3;3*2-6H,1H3;2-5H,1H3;2-4H,1H3,(H,9,11);3*2-5H,1H3;2-4H,1H3;4H,1-3H3;2-3H,1H3;3*3-4H,1-2H3;2-3H,1H3;2-4H,1H3.
What are the key properties of 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole?
4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole has a molecular weight of 4059.50 g/mol, XLogP of 31.71, 0 rotatable bonds, 1 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;1-methyl-2,3-dihydroindole;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methylindole-2,3-dione;1-methyl-3H-indol-2-one;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrazolo[5,4-b]pyridine;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-3-(trifluoromethyl)pyrazole;1,3,3-trimethylindol-2-one;1,3,5-trimethylpyrazole is sourced from PubChem (CID 160978423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).