7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one

C20H15ClF3N5O2 — CID 11190148

IUPAC7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCOc1ccc(-c2c(-c3ccccc3Cl)nn3c(=O)n(CC(F)(F)F)c(C)nc23)cn1
InChIInChI=1S/C20H15ClF3N5O2/c1-11-26-18-16(12-7-8-15(31-2)25-9-12)17(13-5-3-4-6-14(13)21)27-29(18)19(30)28(11)10-20(22,23)24/h3-9H,10H2,1-2H3
InChIKeyCFIIAVPNVINFGU-UHFFFAOYSA-N
MW449.82 g/mol
LogP4.15
Rot. Bonds4

About 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one

7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 11190148) has the molecular formula C20H15ClF3N5O2 and a molecular weight of 449.82 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID11190148
Molecular FormulaC20H15ClF3N5O2
Molecular Weight449.82 g/mol
Exact Mass449.09
IUPAC Name7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCOc1ccc(-c2c(-c3ccccc3Cl)nn3c(=O)n(CC(F)(F)F)c(C)nc23)cn1
InChIInChI=1S/C20H15ClF3N5O2/c1-11-26-18-16(12-7-8-15(31-2)25-9-12)17(13-5-3-4-6-14(13)21)27-29(18)19(30)28(11)10-20(22,23)24/h3-9H,10H2,1-2H3
InChIKeyCFIIAVPNVINFGU-UHFFFAOYSA-N
XLogP4.15
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.82
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 11190148) is 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one is COc1ccc(-c2c(-c3ccccc3Cl)nn3c(=O)n(CC(F)(F)F)c(C)nc23)cn1.
What is the InChIKey of 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is CFIIAVPNVINFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5O2/c1-11-26-18-16(12-7-8-15(31-2)25-9-12)17(13-5-3-4-6-14(13)21)27-29(18)19(30)28(11)10-20(22,23)24/h3-9H,10H2,1-2H3.
What are the key properties of 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 449.82 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-8-(6-methoxy-3-pyridinyl)-2-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 11190148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).