1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one

C22H19F3N4O — CID 155563724

IUPAC1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H19F3N4O/c1-26-19-9-17(13-28(2)21(19)30)15-5-6-16-11-27-29(20(16)10-15)12-14-3-7-18(8-4-14)22(23,24)25/h3-11,13,26H,12H2,1-2H3
InChIKeyYTVAICROPUECLP-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.51
Rot. Bonds4

About 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one

1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one (PubChem CID 155563724) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one
PubChem CID155563724
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C22H19F3N4O/c1-26-19-9-17(13-28(2)21(19)30)15-5-6-16-11-27-29(20(16)10-15)12-14-3-7-18(8-4-14)22(23,24)25/h3-11,13,26H,12H2,1-2H3
InChIKeyYTVAICROPUECLP-UHFFFAOYSA-N
XLogP4.51
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one (CID 155563724) is 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one is CNc1cc(-c2ccc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn(C)c1=O.
What is the InChIKey of 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one?
The InChIKey is YTVAICROPUECLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-26-19-9-17(13-28(2)21(19)30)15-5-6-16-11-27-29(20(16)10-15)12-14-3-7-18(8-4-14)22(23,24)25/h3-11,13,26H,12H2,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one?
1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one has a molecular weight of 412.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one is sourced from PubChem (CID 155563724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).