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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one

C196H227Cl4F2N55O12 — CID 161415289

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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one
SMILESC/N=C/c1cccnc1N.C/N=C1\CCN(C)CC1=CN.C/N=C1\CN(C)CCC1=CN.CN1C(=O)C(=O)c2ccccc21.CN1C(=O)C(C)(C)c2ccccc21.CN1C(=O)C(F)(F)c2ccccc21.CN1C(=O)Cc2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2c(ncn2C)C1.CN1CCc2ncn(C)c2C1.Cc1ccn(C)n1.Cc1ccnn1C.Cn1c(=O)[nH]c2cccnc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)oc2ccccc21.Cn1c(=O)oc2cccnc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)cn1.Cn1ccc2ccc(Cl)nc21.Cn1ccc2cccnc21.Cn1ccc2ccnc(Cl)c21.Cn1ccc2ccncc21.Cn1cccn1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.[H]/N=C/c1cccnc1NC
InChIInChI=1S/C11H13NO.C9H7F2NO.C9H7NO2.2C9H9NO.3C8H7ClN2.C8H9N3O.2C8H13N3.2C8H15N3.3C8H8N2.C8H7NO2.C7H7N3O.C7H7N3.2C7H9N3.C7H6N2O2.2C5H8N2.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;2*1-10-8-5-3-2-4-7(8)6-9(10)11;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;1-10-4-3-7-8(5-10)11(2)6-9-7;1-10-8-3-4-11(2)6-7(8)5-9;1-10-8-6-11(2)4-3-7(8)5-9;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;1-9-5-6-3-2-4-10-7(6)8;1-9-7-6(5-8)3-2-4-10-7;1-9-6-5(11-7(9)10)3-2-4-8-6;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*2-5H,6H2,1H3;3*2-5H,1H3;3-5H,1-2H3;2*6H,3-5H2,1-2H3;2*5H,3-4,6,9H2,1-2H3;3*2-6H,1H3;2-5H,1H3;2-4H,1H3,(H,9,11);2-5H,1H3;2-5H,1H3,(H2,8,10);2-5,8H,1H3,(H,9,10);2-4H,1H3;2*3-4H,1-2H3;2-3H,1H3;2-4H,1H3/b;;;;;;;;;;;2*7-5?,10-8+;;;;;;;9-5+;8-5+;;;;;
InChIKeyASNIPWCNQZLNOP-ZKNRBPHVSA-N
MW3725.15 g/mol
LogP27.58
Rot. Bonds3

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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one

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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one (PubChem CID 161415289) has the molecular formula C196H227Cl4F2N55O12 and a molecular weight of 3725.15 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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one.

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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one
PubChem CID161415289
Molecular FormulaC196H227Cl4F2N55O12
Molecular Weight3725.15 g/mol
Exact Mass3720.76
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one
SMILESC/N=C/c1cccnc1N.C/N=C1\CCN(C)CC1=CN.C/N=C1\CN(C)CCC1=CN.CN1C(=O)C(=O)c2ccccc21.CN1C(=O)C(C)(C)c2ccccc21.CN1C(=O)C(F)(F)c2ccccc21.CN1C(=O)Cc2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2c(ncn2C)C1.CN1CCc2ncn(C)c2C1.Cc1ccn(C)n1.Cc1ccnn1C.Cn1c(=O)[nH]c2cccnc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)oc2ccccc21.Cn1c(=O)oc2cccnc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)cn1.Cn1ccc2ccc(Cl)nc21.Cn1ccc2cccnc21.Cn1ccc2ccnc(Cl)c21.Cn1ccc2ccncc21.Cn1cccn1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.[H]/N=C/c1cccnc1NC
InChIInChI=1S/C11H13NO.C9H7F2NO.C9H7NO2.2C9H9NO.3C8H7ClN2.C8H9N3O.2C8H13N3.2C8H15N3.3C8H8N2.C8H7NO2.C7H7N3O.C7H7N3.2C7H9N3.C7H6N2O2.2C5H8N2.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;2*1-10-8-5-3-2-4-7(8)6-9(10)11;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;1-10-4-3-7-8(5-10)11(2)6-9-7;1-10-8-3-4-11(2)6-7(8)5-9;1-10-8-6-11(2)4-3-7(8)5-9;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;1-9-5-6-3-2-4-10-7(6)8;1-9-7-6(5-8)3-2-4-10-7;1-9-6-5(11-7(9)10)3-2-4-8-6;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*2-5H,6H2,1H3;3*2-5H,1H3;3-5H,1-2H3;2*6H,3-5H2,1-2H3;2*5H,3-4,6,9H2,1-2H3;3*2-6H,1H3;2-5H,1H3;2-4H,1H3,(H,9,11);2-5H,1H3;2-5H,1H3,(H2,8,10);2-5,8H,1H3,(H,9,10);2-4H,1H3;2*3-4H,1-2H3;2-3H,1H3;2-4H,1H3/b;;;;;;;;;;;2*7-5?,10-8+;;;;;;;9-5+;8-5+;;;;;
InChIKeyASNIPWCNQZLNOP-ZKNRBPHVSA-N
XLogP27.58
TPSA726.60 Ų
H-Bond Donors6
H-Bond Acceptors61
Rotatable Bonds3
Heavy Atoms269
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003725.15
LogP ≤ 527.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one with MolForge

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Related Compounds

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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one?
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one (CID 161415289) 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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one.
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one?
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one is C/N=C/c1cccnc1N.C/N=C1\CCN(C)CC1=CN.C/N=C1\CN(C)CCC1=CN.CN1C(=O)C(=O)c2ccccc21.CN1C(=O)C(C)(C)c2ccccc21.CN1C(=O)C(F)(F)c2ccccc21.CN1C(=O)Cc2ccccc21.CN1C(=O)Cc2ccccc21.CN1CCc2c(ncn2C)C1.CN1CCc2ncn(C)c2C1.Cc1ccn(C)n1.Cc1ccnn1C.Cn1c(=O)[nH]c2cccnc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)oc2ccccc21.Cn1c(=O)oc2cccnc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)cn1.Cn1ccc2ccc(Cl)nc21.Cn1ccc2cccnc21.Cn1ccc2ccnc(Cl)c21.Cn1ccc2ccncc21.Cn1cccn1.Cn1cnc2ccccc21.Cn1cnc2cccnc21.[H]/N=C/c1cccnc1NC.
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one?
The InChIKey is ASNIPWCNQZLNOP-ZKNRBPHVSA-N. The full InChI is InChI=1S/C11H13NO.C9H7F2NO.C9H7NO2.2C9H9NO.3C8H7ClN2.C8H9N3O.2C8H13N3.2C8H15N3.3C8H8N2.C8H7NO2.C7H7N3O.C7H7N3.2C7H9N3.C7H6N2O2.2C5H8N2.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;2*1-10-8-5-3-2-4-7(8)6-9(10)11;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;1-10-4-3-7-8(5-10)11(2)6-9-7;1-10-8-3-4-11(2)6-7(8)5-9;1-10-8-6-11(2)4-3-7(8)5-9;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;1-9-5-6-3-2-4-10-7(6)8;1-9-7-6(5-8)3-2-4-10-7;1-9-6-5(11-7(9)10)3-2-4-8-6;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*2-5H,6H2,1H3;3*2-5H,1H3;3-5H,1-2H3;2*6H,3-5H2,1-2H3;2*5H,3-4,6,9H2,1-2H3;3*2-6H,1H3;2-5H,1H3;2-4H,1H3,(H,9,11);2-5H,1H3;2-5H,1H3,(H2,8,10);2-5,8H,1H3,(H,9,10);2-4H,1H3;2*3-4H,1-2H3;2-3H,1H3;2-4H,1H3/b;;;;;;;;;;;2*7-5?,10-8+;;;;;;;9-5+;8-5+;;;;;.
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one?
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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one has a molecular weight of 3725.15 g/mol, XLogP of 27.58, 3 rotatable bonds, 6 hydrogen bond donors, and 61 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;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one is sourced from PubChem (CID 161415289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).