1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid

C59H47N9O8 — CID 159843671

About 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid

1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid (PubChem CID 159843671) has the molecular formula C59H47N9O8 and a molecular weight of 1010.08 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
• PubChem CID: 159843671
• Molecular Formula: C59H47N9O8
• Molecular Weight: 1010.08 g/mol
• Exact Mass: 1009.35
• IUPAC Name: 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
• SMILES: Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1
• InChI: InChI=1S/3C15H12N2O2.C14H11N3O2/c1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(11)17;1-10-4-6-16-14(8-10)17-7-5-11-9-12(15(18)19)2-3-13(11)17;1-10-3-2-4-14(16-10)17-8-7-11-9-12(15(18)19)5-6-13(11)17;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17/h3*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19)
• InChIKey: NOZZVDYMQSOBTM-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 233.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.08
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

The IUPAC name of 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid (CID 159843671) is 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid.

What is the SMILES notation for 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

The canonical SMILES for 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid is Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.

What is the InChIKey of 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

The InChIKey is NOZZVDYMQSOBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H12N2O2.C14H11N3O2/c1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(11)17;1-10-4-6-16-14(8-10)17-7-5-11-9-12(15(18)19)2-3-13(11)17;1-10-3-2-4-14(16-10)17-8-7-11-9-12(15(18)19)5-6-13(11)17;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17/h3*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19).

What are the key properties of 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid has a molecular weight of 1010.08 g/mol, XLogP of 11.52, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid is sourced from PubChem (CID 159843671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).