1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one

C20H21F3N6O2 — CID 43039794

IUPAC1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cnc21
InChIInChI=1S/C20H21F3N6O2/c1-26-18-16(10-25-26)19(31)29(13-24-18)12-17(30)28-8-6-27(7-9-28)11-14-2-4-15(5-3-14)20(21,22)23/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyUIOAUBLXVOTSGX-UHFFFAOYSA-N
MW434.42 g/mol
LogP1.49
Rot. Bonds4

About 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 43039794) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID43039794
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cnc21
InChIInChI=1S/C20H21F3N6O2/c1-26-18-16(10-25-26)19(31)29(13-24-18)12-17(30)28-8-6-27(7-9-28)11-14-2-4-15(5-3-14)20(21,22)23/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyUIOAUBLXVOTSGX-UHFFFAOYSA-N
XLogP1.49
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 26067761
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 134036516
5-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55646125
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17447658
1-[2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 86915465
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide
CID 42323996
5-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 22110276
1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 78840368
3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one
CID 26787483
3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42572847
1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 119043339
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 43039794) is 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CC(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cnc21.
What is the InChIKey of 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UIOAUBLXVOTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-26-18-16(10-25-26)19(31)29(13-24-18)12-17(30)28-8-6-27(7-9-28)11-14-2-4-15(5-3-14)20(21,22)23/h2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 434.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 43039794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).