2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

C16H20F3N5O2 — CID 167792837

IUPAC2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C16H20F3N5O2/c1-10-12(15(26)24-13(22-10)4-7-21-24)8-14(25)23(9-16(17,18)19)11-2-5-20-6-3-11/h4,7,11,20-21H,2-3,5-6,8-9H2,1H3
InChIKeyGLLDEKYCVIWLPF-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.02
Rot. Bonds4

About 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 167792837) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID167792837
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C16H20F3N5O2/c1-10-12(15(26)24-13(22-10)4-7-21-24)8-14(25)23(9-16(17,18)19)11-2-5-20-6-3-11/h4,7,11,20-21H,2-3,5-6,8-9H2,1H3
InChIKeyGLLDEKYCVIWLPF-UHFFFAOYSA-N
XLogP1.02
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 167792837) is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GLLDEKYCVIWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-10-12(15(26)24-13(22-10)4-7-21-24)8-14(25)23(9-16(17,18)19)11-2-5-20-6-3-11/h4,7,11,20-21H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 371.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 167792837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).