1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine

C289H504N42O2S2 — CID 160521295

IUPAC1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine
SMILESC/N=C1\Cc2ccc(C)nc2N1C.C/N=C1\Cc2ccccc2N1C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2C=CC=CC2N1C.CC1=NC(C)C(C)N1C.CC1=NC2=C(C)CC(C)=C2C1.CC1=NC2=C(C1)C(C)=C(C)C2.CC1=NC2=C(C1)CC(C)=C2C.CC1=NC2=C(CCC2)C1.CC1=NC2=C(CCCC2)C1.CC1=NC2CCCCC2C1.CC1=NCC2CCCCC2C1.CC1=NCCCN1C.CC1=Nc2c(C)nc(C)nc2C1.CC1=Nc2ccc(C)nc2C1.CC1=Nc2ccccc2C1.CC1=Nc2ccnc(C)c2C1.Cc1c(C)c(C)n(C)c1C.Cc1cc2ccccc2n1C.Cc1ccc2c(n1)N(C)CC2.Cc1ccc2c(n1)N(C)CCC2.Cc1ccccn1.Cc1ccnc(C)n1.Cc1cnc(C)n1C.Cc1nc(C)n(C)c1C.Cc1ncco1.Cc1nccs1.Cc1nccs1.c1cocn1
InChIInChI=1S/C10H13N3.C10H14N2.C10H12N2.4C10H13N.C10H11N.C10H17N.C9H11N3.C9H12N2.2C9H10N2.C9H15N.C9H13N.C9H9N.C9H15N.C8H11N.C7H14N2.C7H12N2.C6H10N2.C6H12N2.C6H8N2.C6H7N.C4H5NO.2C4H5NS.C3H3NO.33C2H6/c1-7-4-5-8-6-9(11-2)13(3)10(8)12-7;1-8-5-6-9-4-3-7-12(2)10(9)11-8;1-11-10-7-8-5-3-4-6-9(8)12(10)2;1-6-4-10-9(8(6)3)5-7(2)11-10;1-6-4-9-5-7(2)11-10(9)8(6)3;1-6-4-7(2)10-9(6)5-8(3)11-10;2*1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-6-9-4-2-3-5-10(9)7-11-8;1-5-4-8-9(10-5)6(2)11-7(3)12-8;1-7-3-4-8-5-6-11(2)9(8)10-7;1-6-5-8-7(2)10-4-3-9(8)11-6;1-6-3-4-8-9(10-6)5-7(2)11-8;3*1-7-6-8-4-2-3-5-9(8)10-7;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7-3-2-4-8(7)9-6;2*1-5-6(2)9(4)7(3)8-5;1-5-4-7-6(2)8(5)3;1-6-7-4-3-5-8(6)2;1-5-3-4-7-6(2)8-5;1-6-4-2-3-5-7-6;3*1-4-5-2-3-6-4;1-2-5-3-4-1;33*1-2/h4-5H,6H2,1-3H3;5-6H,3-4,7H2,1-2H3;3-6H,7H2,1-2H3;3*4-5H2,1-3H3;3-7,9-10H,1-2H3;3-7H,1-2H3;9-10H,2-7H2,1H3;4H2,1-3H3;3-4H,5-6H2,1-2H3;2*3-4H,5H2,1-2H3;8-9H,2-6H2,1H3;2-6H2,1H3;2-5H,6H2,1H3;1-5H3;2-5H2,1H3;5-6H,1-4H3;1-4H3;4H,1-3H3;3-5H2,1-2H3;3-4H,1-2H3;2-5H,1H3;3*2-3H,1H3;1-3H;33*1-2H3/b11-9+;;11-10+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQUHLZEAYQUAPPS-IQMVKLEASA-N
MW4663.64 g/mol
LogP84.85
Rot. Bonds

About 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine

1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 160521295) has the molecular formula C289H504N42O2S2 and a molecular weight of 4663.64 g/mol. Its IUPAC name is 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID160521295
Molecular FormulaC289H504N42O2S2
Molecular Weight4663.64 g/mol
Exact Mass4660.01
IUPAC Name1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine
SMILESC/N=C1\Cc2ccc(C)nc2N1C.C/N=C1\Cc2ccccc2N1C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2C=CC=CC2N1C.CC1=NC(C)C(C)N1C.CC1=NC2=C(C)CC(C)=C2C1.CC1=NC2=C(C1)C(C)=C(C)C2.CC1=NC2=C(C1)CC(C)=C2C.CC1=NC2=C(CCC2)C1.CC1=NC2=C(CCCC2)C1.CC1=NC2CCCCC2C1.CC1=NCC2CCCCC2C1.CC1=NCCCN1C.CC1=Nc2c(C)nc(C)nc2C1.CC1=Nc2ccc(C)nc2C1.CC1=Nc2ccccc2C1.CC1=Nc2ccnc(C)c2C1.Cc1c(C)c(C)n(C)c1C.Cc1cc2ccccc2n1C.Cc1ccc2c(n1)N(C)CC2.Cc1ccc2c(n1)N(C)CCC2.Cc1ccccn1.Cc1ccnc(C)n1.Cc1cnc(C)n1C.Cc1nc(C)n(C)c1C.Cc1ncco1.Cc1nccs1.Cc1nccs1.c1cocn1
InChIInChI=1S/C10H13N3.C10H14N2.C10H12N2.4C10H13N.C10H11N.C10H17N.C9H11N3.C9H12N2.2C9H10N2.C9H15N.C9H13N.C9H9N.C9H15N.C8H11N.C7H14N2.C7H12N2.C6H10N2.C6H12N2.C6H8N2.C6H7N.C4H5NO.2C4H5NS.C3H3NO.33C2H6/c1-7-4-5-8-6-9(11-2)13(3)10(8)12-7;1-8-5-6-9-4-3-7-12(2)10(9)11-8;1-11-10-7-8-5-3-4-6-9(8)12(10)2;1-6-4-10-9(8(6)3)5-7(2)11-10;1-6-4-9-5-7(2)11-10(9)8(6)3;1-6-4-7(2)10-9(6)5-8(3)11-10;2*1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-6-9-4-2-3-5-10(9)7-11-8;1-5-4-8-9(10-5)6(2)11-7(3)12-8;1-7-3-4-8-5-6-11(2)9(8)10-7;1-6-5-8-7(2)10-4-3-9(8)11-6;1-6-3-4-8-9(10-6)5-7(2)11-8;3*1-7-6-8-4-2-3-5-9(8)10-7;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7-3-2-4-8(7)9-6;2*1-5-6(2)9(4)7(3)8-5;1-5-4-7-6(2)8(5)3;1-6-7-4-3-5-8(6)2;1-5-3-4-7-6(2)8-5;1-6-4-2-3-5-7-6;3*1-4-5-2-3-6-4;1-2-5-3-4-1;33*1-2/h4-5H,6H2,1-3H3;5-6H,3-4,7H2,1-2H3;3-6H,7H2,1-2H3;3*4-5H2,1-3H3;3-7,9-10H,1-2H3;3-7H,1-2H3;9-10H,2-7H2,1H3;4H2,1-3H3;3-4H,5-6H2,1-2H3;2*3-4H,5H2,1-2H3;8-9H,2-6H2,1H3;2-6H2,1H3;2-5H,6H2,1H3;1-5H3;2-5H2,1H3;5-6H,1-4H3;1-4H3;4H,1-3H3;3-5H2,1-2H3;3-4H,1-2H3;2-5H,1H3;3*2-3H,1H3;1-3H;33*1-2H3/b11-9+;;11-10+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQUHLZEAYQUAPPS-IQMVKLEASA-N
XLogP84.85
TPSA460.32 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds
Heavy Atoms335
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004663.64
LogP ≤ 584.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine (CID 160521295) is 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine is C/N=C1\Cc2ccc(C)nc2N1C.C/N=C1\Cc2ccccc2N1C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC2C=CC=CC2N1C.CC1=NC(C)C(C)N1C.CC1=NC2=C(C)CC(C)=C2C1.CC1=NC2=C(C1)C(C)=C(C)C2.CC1=NC2=C(C1)CC(C)=C2C.CC1=NC2=C(CCC2)C1.CC1=NC2=C(CCCC2)C1.CC1=NC2CCCCC2C1.CC1=NCC2CCCCC2C1.CC1=NCCCN1C.CC1=Nc2c(C)nc(C)nc2C1.CC1=Nc2ccc(C)nc2C1.CC1=Nc2ccccc2C1.CC1=Nc2ccnc(C)c2C1.Cc1c(C)c(C)n(C)c1C.Cc1cc2ccccc2n1C.Cc1ccc2c(n1)N(C)CC2.Cc1ccc2c(n1)N(C)CCC2.Cc1ccccn1.Cc1ccnc(C)n1.Cc1cnc(C)n1C.Cc1nc(C)n(C)c1C.Cc1ncco1.Cc1nccs1.Cc1nccs1.c1cocn1.
What is the InChIKey of 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is QUHLZEAYQUAPPS-IQMVKLEASA-N. The full InChI is InChI=1S/C10H13N3.C10H14N2.C10H12N2.4C10H13N.C10H11N.C10H17N.C9H11N3.C9H12N2.2C9H10N2.C9H15N.C9H13N.C9H9N.C9H15N.C8H11N.C7H14N2.C7H12N2.C6H10N2.C6H12N2.C6H8N2.C6H7N.C4H5NO.2C4H5NS.C3H3NO.33C2H6/c1-7-4-5-8-6-9(11-2)13(3)10(8)12-7;1-8-5-6-9-4-3-7-12(2)10(9)11-8;1-11-10-7-8-5-3-4-6-9(8)12(10)2;1-6-4-10-9(8(6)3)5-7(2)11-10;1-6-4-9-5-7(2)11-10(9)8(6)3;1-6-4-7(2)10-9(6)5-8(3)11-10;2*1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-6-9-4-2-3-5-10(9)7-11-8;1-5-4-8-9(10-5)6(2)11-7(3)12-8;1-7-3-4-8-5-6-11(2)9(8)10-7;1-6-5-8-7(2)10-4-3-9(8)11-6;1-6-3-4-8-9(10-6)5-7(2)11-8;3*1-7-6-8-4-2-3-5-9(8)10-7;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7-3-2-4-8(7)9-6;2*1-5-6(2)9(4)7(3)8-5;1-5-4-7-6(2)8(5)3;1-6-7-4-3-5-8(6)2;1-5-3-4-7-6(2)8-5;1-6-4-2-3-5-7-6;3*1-4-5-2-3-6-4;1-2-5-3-4-1;33*1-2/h4-5H,6H2,1-3H3;5-6H,3-4,7H2,1-2H3;3-6H,7H2,1-2H3;3*4-5H2,1-3H3;3-7,9-10H,1-2H3;3-7H,1-2H3;9-10H,2-7H2,1H3;4H2,1-3H3;3-4H,5-6H2,1-2H3;2*3-4H,5H2,1-2H3;8-9H,2-6H2,1H3;2-6H2,1H3;2-5H,6H2,1H3;1-5H3;2-5H2,1H3;5-6H,1-4H3;1-4H3;4H,1-3H3;3-5H2,1-2H3;3-4H,1-2H3;2-5H,1H3;3*2-3H,1H3;1-3H;33*1-2H3/b11-9+;;11-10+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine?
1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 4663.64 g/mol, XLogP of 84.85, 0 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3a,7a-dihydroindole;1,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,2-dimethylindole;N,1-dimethyl-3H-indol-2-imine;2,4-dimethylpyrimidine;2,5-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,4-dimethyl-3H-pyrrolo[3,2-c]pyridine;ethane;2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole;3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline;2-methyl-3H-indole;2-methyl-1,3-oxazole;2-methylpyridine;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole;2-methyl-4,5,6,7-tetrahydro-3H-indole;bis(2-methyl-1,3-thiazole);1,3-oxazole;1,2,3,4,5-pentamethylpyrrole;1,2,4,5-tetramethyl-4,5-dihydroimidazole;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-3,6-dihydrocyclopenta[b]pyrrole;2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole;2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole;1,2,5-trimethylimidazole;N,1,6-trimethyl-3H-pyrrolo[2,3-b]pyridin-2-imine;2,4,6-trimethyl-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 160521295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).