4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane

C42H40AlCl4N15O11 — CID 161055901

About 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane

4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane (PubChem CID 161055901) has the molecular formula C42H40AlCl4N15O11 and a molecular weight of 1099.67 g/mol. Its IUPAC name is 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane.

Molecular Properties

• Compound Name: 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane
• PubChem CID: 161055901
• Molecular Formula: C42H40AlCl4N15O11
• Molecular Weight: 1099.67 g/mol
• Exact Mass: 1097.16
• IUPAC Name: 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane
• SMILES: CCC(=O)C(=O)Cl.COC(=O)C(=O)c1c[nH]c2c(-n3cnc(C)n3)ncc(OC)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)O)c12.COc1cnc(-n2cnc(C)n2)c2[nH]ccc12.Cl[Al](Cl)Cl
• InChI: InChI=1S/C14H13N5O4.C13H11N5O4.C11H11N5O.C4H5ClO2.Al.3ClH/c1-7-17-6-19(18-7)13-11-10(9(22-2)5-16-13)8(4-15-11)12(20)14(21)23-3;1-6-16-5-18(17-6)12-10-9(8(22-2)4-15-12)7(3-14-10)11(19)13(20)21;1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11;1-2-3(6)4(5)7;;;;/h4-6,15H,1-3H3;3-5,14H,1-2H3,(H,20,21);3-6,12H,1-2H3;2H2,1H3;;3*1H/q;;;;+3;;;/p-3
• InChIKey: UCSZCMLDQXPWRO-UHFFFAOYSA-K
• XLogP: 5.42
• TPSA: 337.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.67
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane?

The IUPAC name of 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane (CID 161055901) is 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane.

What is the SMILES notation for 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane?

The canonical SMILES for 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane is CCC(=O)C(=O)Cl.COC(=O)C(=O)c1c[nH]c2c(-n3cnc(C)n3)ncc(OC)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)O)c12.COc1cnc(-n2cnc(C)n2)c2[nH]ccc12.Cl[Al](Cl)Cl.

What is the InChIKey of 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane?

The InChIKey is UCSZCMLDQXPWRO-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H13N5O4.C13H11N5O4.C11H11N5O.C4H5ClO2.Al.3ClH/c1-7-17-6-19(18-7)13-11-10(9(22-2)5-16-13)8(4-15-11)12(20)14(21)23-3;1-6-16-5-18(17-6)12-10-9(8(22-2)4-15-12)7(3-14-10)11(19)13(20)21;1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11;1-2-3(6)4(5)7;;;;/h4-6,15H,1-3H3;3-5,14H,1-2H3,(H,20,21);3-6,12H,1-2H3;2H2,1H3;;3*1H/q;;;;+3;;;/p-3.

What are the key properties of 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane?

4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane has a molecular weight of 1099.67 g/mol, XLogP of 5.42, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine;2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;methyl 2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetate;2-oxobutanoyl chloride;trichloroalumane is sourced from PubChem (CID 161055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).