2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)

C38H42BrN8OOs — CID 176846051

IUPAC2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)
SMILESCc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.Cc1ccnc(-n2nc(C)c(C)c2C)c1.Cc1ccnc(-n2nc(C)c(C)c2C)c1.[Os+]
InChIInChI=1S/C14H12BrN2O.2C12H15N3.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-8-5-6-13-12(7-8)15-11(4)9(2)10(3)14-15;/h2,4-8H,9H2,1H3,(H,17,18);2*5-7H,1-4H3;/q-1;;;+1
InChIKeyONBCXNAKKJBNEQ-UHFFFAOYSA-N
MW896.94 g/mol
LogP8.19
Rot. Bonds5

About 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)

2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+) (PubChem CID 176846051) has the molecular formula C38H42BrN8OOs and a molecular weight of 896.94 g/mol. Its IUPAC name is 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+).

Molecular Properties

Compound Name2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)
PubChem CID176846051
Molecular FormulaC38H42BrN8OOs
Molecular Weight896.94 g/mol
Exact Mass897.23
IUPAC Name2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)
SMILESCc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.Cc1ccnc(-n2nc(C)c(C)c2C)c1.Cc1ccnc(-n2nc(C)c(C)c2C)c1.[Os+]
InChIInChI=1S/C14H12BrN2O.2C12H15N3.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-8-5-6-13-12(7-8)15-11(4)9(2)10(3)14-15;/h2,4-8H,9H2,1H3,(H,17,18);2*5-7H,1-4H3;/q-1;;;+1
InChIKeyONBCXNAKKJBNEQ-UHFFFAOYSA-N
XLogP8.19
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.94
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)?
The IUPAC name of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+) (CID 176846051) is 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+).
What is the SMILES notation for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)?
The canonical SMILES for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+) is Cc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.Cc1ccnc(-n2nc(C)c(C)c2C)c1.Cc1ccnc(-n2nc(C)c(C)c2C)c1.[Os+].
What is the InChIKey of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)?
The InChIKey is ONBCXNAKKJBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN2O.2C12H15N3.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-8-5-6-13-12(7-8)15-11(4)9(2)10(3)14-15;/h2,4-8H,9H2,1H3,(H,17,18);2*5-7H,1-4H3;/q-1;;;+1.
What are the key properties of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)?
2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+) has a molecular weight of 896.94 g/mol, XLogP of 8.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+) is sourced from PubChem (CID 176846051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).