5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C20H14F3N3O — CID 129052066

IUPAC5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)17-6-1-13(2-7-17)11-26-12-16(5-8-19(26)27)14-3-4-15-10-24-25-18(15)9-14/h1-10,12H,11H2,(H,24,25)
InChIKeyMANSWFPISOOZGZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.46
Rot. Bonds3

About 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 129052066) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID129052066
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)17-6-1-13(2-7-17)11-26-12-16(5-8-19(26)27)14-3-4-15-10-24-25-18(15)9-14/h1-10,12H,11H2,(H,24,25)
InChIKeyMANSWFPISOOZGZ-UHFFFAOYSA-N
XLogP4.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 129052066) is 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is MANSWFPISOOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c21-20(22,23)17-6-1-13(2-7-17)11-26-12-16(5-8-19(26)27)14-3-4-15-10-24-25-18(15)9-14/h1-10,12H,11H2,(H,24,25).
What are the key properties of 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 369.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 129052066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).