2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H20F3N7 — CID 154882870

IUPAC2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C18H20F3N7/c1-11-9-17(28-16(22-11)8-12(2)25-28)27-6-4-26(5-7-27)15-10-14(18(19,20)21)23-13(3)24-15/h8-10H,4-7H2,1-3H3
InChIKeyUDZLLIXDDAEXCS-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.79
Rot. Bonds2

About 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 154882870) has the molecular formula C18H20F3N7 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID154882870
Molecular FormulaC18H20F3N7
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC Name2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n2nc(C)cc2n1
InChIInChI=1S/C18H20F3N7/c1-11-9-17(28-16(22-11)8-12(2)25-28)27-6-4-26(5-7-27)15-10-14(18(19,20)21)23-13(3)24-15/h8-10H,4-7H2,1-3H3
InChIKeyUDZLLIXDDAEXCS-UHFFFAOYSA-N
XLogP2.79
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 139027268
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283
7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582650
7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631637
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132
2-methyl-4-(trifluoromethyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 91631653
2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 139027856
1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 91631597

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 154882870) is 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UDZLLIXDDAEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7/c1-11-9-17(28-16(22-11)8-12(2)25-28)27-6-4-26(5-7-27)15-10-14(18(19,20)21)23-13(3)24-15/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 391.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154882870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).