N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C13H11BrN8O3 — CID 167761150

IUPACN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESNC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1ccc2nc(Br)nn2c1
InChIInChI=1S/C13H11BrN8O3/c14-13-19-9-2-1-6(5-22(9)21-13)11(24)18-7-3-17-20-10(7)12(25)16-4-8(15)23/h1-3,5H,4H2,(H2,15,23)(H,16,25)(H,17,20)(H,18,24)
InChIKeyBLLKBMCNLORXLL-UHFFFAOYSA-N
MW407.19 g/mol
LogP-0.32
Rot. Bonds5

About N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 167761150) has the molecular formula C13H11BrN8O3 and a molecular weight of 407.19 g/mol. Its IUPAC name is N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID167761150
Molecular FormulaC13H11BrN8O3
Molecular Weight407.19 g/mol
Exact Mass406.01
IUPAC NameN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESNC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1ccc2nc(Br)nn2c1
InChIInChI=1S/C13H11BrN8O3/c14-13-19-9-2-1-6(5-22(9)21-13)11(24)18-7-3-17-20-10(7)12(25)16-4-8(15)23/h1-3,5H,4H2,(H2,15,23)(H,16,25)(H,17,20)(H,18,24)
InChIKeyBLLKBMCNLORXLL-UHFFFAOYSA-N
XLogP-0.32
TPSA160.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide 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 N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 167761150) is N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is NC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1ccc2nc(Br)nn2c1.
What is the InChIKey of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is BLLKBMCNLORXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN8O3/c14-13-19-9-2-1-6(5-22(9)21-13)11(24)18-7-3-17-20-10(7)12(25)16-4-8(15)23/h1-3,5H,4H2,(H2,15,23)(H,16,25)(H,17,20)(H,18,24).
What are the key properties of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 407.19 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 167761150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).