2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C19H27N5O4 — CID 166518347

IUPAC2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCOCCCc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C19H27N5O4/c1-19(27)9-13(10-19)20-17(25)11-23-18(26)15-8-14(12-5-6-12)21-24(15)16(22-23)4-3-7-28-2/h8,12-13,27H,3-7,9-11H2,1-2H3,(H,20,25)
InChIKeyIBNHANBALLNBGK-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.38
Rot. Bonds8

About 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 166518347) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID166518347
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCOCCCc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2cc(C3CC3)nn12
InChIInChI=1S/C19H27N5O4/c1-19(27)9-13(10-19)20-17(25)11-23-18(26)15-8-14(12-5-6-12)21-24(15)16(22-23)4-3-7-28-2/h8,12-13,27H,3-7,9-11H2,1-2H3,(H,20,25)
InChIKeyIBNHANBALLNBGK-UHFFFAOYSA-N
XLogP0.38
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 166803303
2-[4-chloro-12-(2-hydroxypropan-2-yl)-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 146308191
2-[4-(dimethylamino)-7-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 168797392
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
N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953606
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
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
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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 166803404
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-(3-methyl-4-pyridinyl)acetamide
CID 166803355

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 166518347) is 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is COCCCc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2cc(C3CC3)nn12.
What is the InChIKey of 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is IBNHANBALLNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-19(27)9-13(10-19)20-17(25)11-23-18(26)15-8-14(12-5-6-12)21-24(15)16(22-23)4-3-7-28-2/h8,12-13,27H,3-7,9-11H2,1-2H3,(H,20,25).
What are the key properties of 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 166518347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).