ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate

C14H13BrN6O3 — CID 67775496

IUPACethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(Br)nc2c1
InChIInChI=1S/C14H13BrN6O3/c1-3-24-13(23)9-7-16-20(2)11(9)12(22)17-8-4-5-21-10(6-8)18-14(15)19-21/h4-7H,3H2,1-2H3,(H,17,22)
InChIKeyCIMKXZLMWGVQQQ-UHFFFAOYSA-N
MW393.20 g/mol
LogP1.65
Rot. Bonds4

About ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67775496) has the molecular formula C14H13BrN6O3 and a molecular weight of 393.20 g/mol. Its IUPAC name is ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67775496
Molecular FormulaC14H13BrN6O3
Molecular Weight393.20 g/mol
Exact Mass392.02
IUPAC Nameethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(Br)nc2c1
InChIInChI=1S/C14H13BrN6O3/c1-3-24-13(23)9-7-16-20(2)11(9)12(22)17-8-4-5-21-10(6-8)18-14(15)19-21/h4-7H,3H2,1-2H3,(H,17,22)
InChIKeyCIMKXZLMWGVQQQ-UHFFFAOYSA-N
XLogP1.65
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate 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 ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate (CID 67775496) is ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(Br)nc2c1.
What is the InChIKey of ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is CIMKXZLMWGVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O3/c1-3-24-13(23)9-7-16-20(2)11(9)12(22)17-8-4-5-21-10(6-8)18-14(15)19-21/h4-7H,3H2,1-2H3,(H,17,22).
What are the key properties of ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 393.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67775496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).