3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C23H20ClF3N6 — CID 20895257

IUPAC3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1
InChIInChI=1S/C23H20ClF3N6/c1-15-14-19(32-12-10-31(11-13-32)18-8-4-5-9-28-18)33-22(29-15)20(21(30-33)23(25,26)27)16-6-2-3-7-17(16)24/h2-9,14H,10-13H2,1H3
InChIKeyCBORTFFSVMMYNA-UHFFFAOYSA-N
MW472.90 g/mol
LogP5.10
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 20895257) has the molecular formula C23H20ClF3N6 and a molecular weight of 472.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID20895257
Molecular FormulaC23H20ClF3N6
Molecular Weight472.90 g/mol
Exact Mass472.14
IUPAC Name3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1
InChIInChI=1S/C23H20ClF3N6/c1-15-14-19(32-12-10-31(11-13-32)18-8-4-5-9-28-18)33-22(29-15)20(21(30-33)23(25,26)27)16-6-2-3-7-17(16)24/h2-9,14H,10-13H2,1H3
InChIKeyCBORTFFSVMMYNA-UHFFFAOYSA-N
XLogP5.10
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 20895257) is 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CBORTFFSVMMYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N6/c1-15-14-19(32-12-10-31(11-13-32)18-8-4-5-9-28-18)33-22(29-15)20(21(30-33)23(25,26)27)16-6-2-3-7-17(16)24/h2-9,14H,10-13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 472.90 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 20895257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).