6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine

C201H208N42O3S — CID 157402732

IUPAC6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
SMILESCc1cc2c(cn1)C=CC2.Cc1cc2c(cn1)C=NC2.Cc1cc2c(cn1)N=CC2.Cc1cc2cc[nH]c2cn1.Cc1cc2cn[nH]c2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2n1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)CN=N2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1cnc2[nH]ccc2c1.Cc1cnc2[nH]ncc2c1.Cc1cnc2c(c1)CC=C2.Cc1cnc2c(c1)CN=C2
InChIInChI=1S/2C9H10N2.2C9H9NO.C9H9N.C9H11N.C9H9N.C9H11N.3C9H9N.C8H9N3.C8H8N2O.C8H8N2S.8C8H8N2.2C7H7N3/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-7-5-8-3-2-4-9(8)6-10-7;1-7-5-8-3-2-4-9(8)10-6-7;1-5-2-3-6-7(4-5)10-11-8(6)9;2*1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-2-7-3-9-4-8(7)5-10-6;1-6-2-7-4-9-5-8(7)10-3-6;2*1-6-4-7-2-3-9-8(7)5-10-6;1-6-4-7-2-3-9-8(7)10-5-6;2*1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(10-6)4-5-9-7;1-5-2-6-3-9-10-7(6)4-8-5;1-5-2-6-4-9-10-7(6)8-3-5/h2*2-4H,5H2,1H3,(H2,10,11);2*2-4H,5H2,1H3,(H,10,11);2-5H,6H2,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2*2,4-6H,3H2,1H3;2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10);2,4-5H,3H2,1H3;2-3,5H,4H2,1H3;3-5H,2H2,1H3;2-5,9H,1H3;2-5H,1H3,(H,9,10);2-4H,5H2,1H3;2-5H,1H3,(H,9,10);2-5,9H,1H3;2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10)
InChIKeyBNIZMEMENKZILU-UHFFFAOYSA-N
MW3292.23 g/mol
LogP41.89
Rot. Bonds

About 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine

6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine (PubChem CID 157402732) has the molecular formula C201H208N42O3S and a molecular weight of 3292.23 g/mol. Its IUPAC name is 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
PubChem CID157402732
Molecular FormulaC201H208N42O3S
Molecular Weight3292.23 g/mol
Exact Mass3289.71
IUPAC Name6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
SMILESCc1cc2c(cn1)C=CC2.Cc1cc2c(cn1)C=NC2.Cc1cc2c(cn1)N=CC2.Cc1cc2cc[nH]c2cn1.Cc1cc2cn[nH]c2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2n1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)CN=N2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1cnc2[nH]ccc2c1.Cc1cnc2[nH]ncc2c1.Cc1cnc2c(c1)CC=C2.Cc1cnc2c(c1)CN=C2
InChIInChI=1S/2C9H10N2.2C9H9NO.C9H9N.C9H11N.C9H9N.C9H11N.3C9H9N.C8H9N3.C8H8N2O.C8H8N2S.8C8H8N2.2C7H7N3/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-7-5-8-3-2-4-9(8)6-10-7;1-7-5-8-3-2-4-9(8)10-6-7;1-5-2-3-6-7(4-5)10-11-8(6)9;2*1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-2-7-3-9-4-8(7)5-10-6;1-6-2-7-4-9-5-8(7)10-3-6;2*1-6-4-7-2-3-9-8(7)5-10-6;1-6-4-7-2-3-9-8(7)10-5-6;2*1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(10-6)4-5-9-7;1-5-2-6-3-9-10-7(6)4-8-5;1-5-2-6-4-9-10-7(6)8-3-5/h2*2-4H,5H2,1H3,(H2,10,11);2*2-4H,5H2,1H3,(H,10,11);2-5H,6H2,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2*2,4-6H,3H2,1H3;2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10);2,4-5H,3H2,1H3;2-3,5H,4H2,1H3;3-5H,2H2,1H3;2-5,9H,1H3;2-5H,1H3,(H,9,10);2-4H,5H2,1H3;2-5H,1H3,(H,9,10);2-5,9H,1H3;2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10)
InChIKeyBNIZMEMENKZILU-UHFFFAOYSA-N
XLogP41.89
TPSA672.73 Ų
H-Bond Donors18
H-Bond Acceptors35
Rotatable Bonds
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003292.23
LogP ≤ 541.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1035

Analyze 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine (CID 157402732) is 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine is Cc1cc2c(cn1)C=CC2.Cc1cc2c(cn1)C=NC2.Cc1cc2c(cn1)N=CC2.Cc1cc2cc[nH]c2cn1.Cc1cc2cn[nH]c2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2n1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)CN=N2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1cnc2[nH]ccc2c1.Cc1cnc2[nH]ncc2c1.Cc1cnc2c(c1)CC=C2.Cc1cnc2c(c1)CN=C2.
What is the InChIKey of 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is BNIZMEMENKZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.2C9H9NO.C9H9N.C9H11N.C9H9N.C9H11N.3C9H9N.C8H9N3.C8H8N2O.C8H8N2S.8C8H8N2.2C7H7N3/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-7-5-8-3-2-4-9(8)6-10-7;1-7-5-8-3-2-4-9(8)10-6-7;1-5-2-3-6-7(4-5)10-11-8(6)9;2*1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-2-7-3-9-4-8(7)5-10-6;1-6-2-7-4-9-5-8(7)10-3-6;2*1-6-4-7-2-3-9-8(7)5-10-6;1-6-4-7-2-3-9-8(7)10-5-6;2*1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(10-6)4-5-9-7;1-5-2-6-3-9-10-7(6)4-8-5;1-5-2-6-4-9-10-7(6)8-3-5/h2*2-4H,5H2,1H3,(H2,10,11);2*2-4H,5H2,1H3,(H,10,11);2-5H,6H2,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2*2,4-6H,3H2,1H3;2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10);2,4-5H,3H2,1H3;2-3,5H,4H2,1H3;3-5H,2H2,1H3;2-5,9H,1H3;2-5H,1H3,(H,9,10);2-4H,5H2,1H3;2-5H,1H3,(H,9,10);2-5,9H,1H3;2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10).
What are the key properties of 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine?
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 3292.23 g/mol, XLogP of 41.89, 0 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 157402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).