2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide

C18H21N7O2 — CID 166803353

IUPAC2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)Cn2nc(C(C)C)n3nc(C4CC4)cc3c2=O)cn1
InChIInChI=1S/C18H21N7O2/c1-10(2)17-23-24(9-16(26)21-13-7-19-11(3)20-8-13)18(27)15-6-14(12-4-5-12)22-25(15)17/h6-8,10,12H,4-5,9H2,1-3H3,(H,21,26)
InChIKeyDNVFLNLTFXQARB-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.63
Rot. Bonds5

About 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide

2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide (PubChem CID 166803353) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide
PubChem CID166803353
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)Cn2nc(C(C)C)n3nc(C4CC4)cc3c2=O)cn1
InChIInChI=1S/C18H21N7O2/c1-10(2)17-23-24(9-16(26)21-13-7-19-11(3)20-8-13)18(27)15-6-14(12-4-5-12)22-25(15)17/h6-8,10,12H,4-5,9H2,1-3H3,(H,21,26)
InChIKeyDNVFLNLTFXQARB-UHFFFAOYSA-N
XLogP1.63
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-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-(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-(3-methyl-4-pyridinyl)acetamide
CID 166803355
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-([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-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 166803404
methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 166803303
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-(tetrazolo[1,5-b]pyridazin-6-yl)acetamide
CID 166803160
2-(2-amino-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518369
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-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166803168

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide?
The IUPAC name of 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) is 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide is Cc1ncc(NC(=O)Cn2nc(C(C)C)n3nc(C4CC4)cc3c2=O)cn1.
What is the InChIKey of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide?
The InChIKey is DNVFLNLTFXQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-10(2)17-23-24(9-16(26)21-13-7-19-11(3)20-8-13)18(27)15-6-14(12-4-5-12)22-25(15)17/h6-8,10,12H,4-5,9H2,1-3H3,(H,21,26).
What are the key properties of 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide?
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 166803353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).