7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one

C16H10F3N5O2 — CID 136593857

IUPAC7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2ccc(C(F)(F)F)cc2nc1-c1cc2[nH]c(=O)cc(O)n2n1
InChIInChI=1S/C16H10F3N5O2/c1-7-15(11-5-12-22-13(25)6-14(26)24(12)23-11)21-10-4-8(16(17,18)19)2-3-9(10)20-7/h2-6,26H,1H3,(H,22,25)
InChIKeyJNIMJPHUIVCKKR-UHFFFAOYSA-N
MW361.28 g/mol
LogP2.67
Rot. Bonds1

About 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 136593857) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID136593857
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC Name7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2ccc(C(F)(F)F)cc2nc1-c1cc2[nH]c(=O)cc(O)n2n1
InChIInChI=1S/C16H10F3N5O2/c1-7-15(11-5-12-22-13(25)6-14(26)24(12)23-11)21-10-4-8(16(17,18)19)2-3-9(10)20-7/h2-6,26H,1H3,(H,22,25)
InChIKeyJNIMJPHUIVCKKR-UHFFFAOYSA-N
XLogP2.67
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 136593857) is 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nc2ccc(C(F)(F)F)cc2nc1-c1cc2[nH]c(=O)cc(O)n2n1.
What is the InChIKey of 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JNIMJPHUIVCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c1-7-15(11-5-12-22-13(25)6-14(26)24(12)23-11)21-10-4-8(16(17,18)19)2-3-9(10)20-7/h2-6,26H,1H3,(H,22,25).
What are the key properties of 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 361.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136593857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).