2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C16H21F3N6O2 — CID 120810705

IUPAC2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H21F3N6O2/c1-10-11(15(27)25-13(23-10)2-3-22-25)8-14(26)21-9-12(16(17,18)19)24-6-4-20-5-7-24/h2-3,12,20,22H,4-9H2,1H3,(H,21,26)
InChIKeyUWXLWCABYFPMFO-UHFFFAOYSA-N
MW386.38 g/mol
LogP-0.17
Rot. Bonds5

About 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120810705) has the molecular formula C16H21F3N6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120810705
Molecular FormulaC16H21F3N6O2
Molecular Weight386.38 g/mol
Exact Mass386.17
IUPAC Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H21F3N6O2/c1-10-11(15(27)25-13(23-10)2-3-22-25)8-14(26)21-9-12(16(17,18)19)24-6-4-20-5-7-24/h2-3,12,20,22H,4-9H2,1H3,(H,21,26)
InChIKeyUWXLWCABYFPMFO-UHFFFAOYSA-N
XLogP-0.17
TPSA94.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120810705) is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is UWXLWCABYFPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O2/c1-10-11(15(27)25-13(23-10)2-3-22-25)8-14(26)21-9-12(16(17,18)19)24-6-4-20-5-7-24/h2-3,12,20,22H,4-9H2,1H3,(H,21,26).
What are the key properties of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 386.38 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120810705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).