5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate

C75H73N9O6 — CID 164964429

IUPAC5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)cc2c1.Cc1cc2cc(C(=O)O)ccc2[nH]1.Cc1cc2ccc(C(=O)O)cc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)N=CC2.Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H11NO2.2C10H9NO2.4C9H9N.C8H8N2/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-6-4-8-5-7(10(12)13)2-3-9(8)11-6;1-6-4-7-2-3-8(10(12)13)5-9(7)11-6;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;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-3-8-7(4-6)5-9-10-8/h3-6,12H,1-2H3;2*2-5,11H,1H3,(H,12,13);2-6,10H,1H3;2-3,5-6H,4H2,1H3;2*2-6,10H,1H3;2-5H,1H3,(H,9,10)
InChIKeyCGZGNLUAVMAUFH-UHFFFAOYSA-N
MW1196.47 g/mol
LogP18.17
Rot. Bonds3

About 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate

5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate (PubChem CID 164964429) has the molecular formula C75H73N9O6 and a molecular weight of 1196.47 g/mol. Its IUPAC name is 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate
PubChem CID164964429
Molecular FormulaC75H73N9O6
Molecular Weight1196.47 g/mol
Exact Mass1195.57
IUPAC Name5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)cc2c1.Cc1cc2cc(C(=O)O)ccc2[nH]1.Cc1cc2ccc(C(=O)O)cc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)N=CC2.Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H11NO2.2C10H9NO2.4C9H9N.C8H8N2/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-6-4-8-5-7(10(12)13)2-3-9(8)11-6;1-6-4-7-2-3-8(10(12)13)5-9(7)11-6;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;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-3-8-7(4-6)5-9-10-8/h3-6,12H,1-2H3;2*2-5,11H,1H3,(H,12,13);2-6,10H,1H3;2-3,5-6H,4H2,1H3;2*2-6,10H,1H3;2-5H,1H3,(H,9,10)
InChIKeyCGZGNLUAVMAUFH-UHFFFAOYSA-N
XLogP18.17
TPSA236.68 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.47
LogP ≤ 518.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate?
The IUPAC name of 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate (CID 164964429) is 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate.
What is the SMILES notation for 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate?
The canonical SMILES for 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(C)cc2c1.Cc1cc2cc(C(=O)O)ccc2[nH]1.Cc1cc2ccc(C(=O)O)cc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)N=CC2.Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate?
The InChIKey is CGZGNLUAVMAUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.2C10H9NO2.4C9H9N.C8H8N2/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-6-4-8-5-7(10(12)13)2-3-9(8)11-6;1-6-4-7-2-3-8(10(12)13)5-9(7)11-6;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;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-3-8-7(4-6)5-9-10-8/h3-6,12H,1-2H3;2*2-5,11H,1H3,(H,12,13);2-6,10H,1H3;2-3,5-6H,4H2,1H3;2*2-6,10H,1H3;2-5H,1H3,(H,9,10).
What are the key properties of 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate?
5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate has a molecular weight of 1196.47 g/mol, XLogP of 18.17, 3 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate is sourced from PubChem (CID 164964429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).