N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C19H19BrN8O2 — CID 166518355

IUPACN-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cc(Br)c3nncn3c2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C19H19BrN8O2/c1-10(2)17-25-27(19(30)15-6-14(11-3-4-11)24-28(15)17)8-16(29)22-12-5-13(20)18-23-21-9-26(18)7-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,29)
InChIKeyJJKPDCDQBAXIMU-UHFFFAOYSA-N
MW471.32 g/mol
LogP2.34
Rot. Bonds5

About N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 166518355) has the molecular formula C19H19BrN8O2 and a molecular weight of 471.32 g/mol. Its IUPAC name is N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID166518355
Molecular FormulaC19H19BrN8O2
Molecular Weight471.32 g/mol
Exact Mass470.08
IUPAC NameN-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cc(Br)c3nncn3c2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C19H19BrN8O2/c1-10(2)17-25-27(19(30)15-6-14(11-3-4-11)24-28(15)17)8-16(29)22-12-5-13(20)18-23-21-9-26(18)7-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,29)
InChIKeyJJKPDCDQBAXIMU-UHFFFAOYSA-N
XLogP2.34
TPSA111.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide with MolForge

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Related Compounds

2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
CID 166803519
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-imidazo[1,2-a]pyridin-6-ylacetamide
CID 166803518
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide
CID 166803353
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methyl-4-pyridinyl)acetamide
CID 166803414
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(tetrazolo[1,5-b]pyridazin-6-yl)acetamide
CID 166803160
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 166803355
methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 166803303
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 166803404
2-[2-(methylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166518344
ethyl 2-[2-(2,2-difluorocyclopropyl)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]acetate
CID 166518349
2-(2-amino-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518369
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 166803393

Frequently Asked Questions

What is the IUPAC name of N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 166518355) is N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is CC(C)c1nn(CC(=O)Nc2cc(Br)c3nncn3c2)c(=O)c2cc(C3CC3)nn12.
What is the InChIKey of N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is JJKPDCDQBAXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN8O2/c1-10(2)17-25-27(19(30)15-6-14(11-3-4-11)24-28(15)17)8-16(29)22-12-5-13(20)18-23-21-9-26(18)7-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,29).
What are the key properties of N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 471.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 166518355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).