N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide

C22H24F3N7O — CID 167075155

IUPACN-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
SMILESCN/C(=C\N)c1cnc(NC(=O)Cn2nc(C)c(-c3ccnc(C(F)(F)F)c3)c2C)c(C)c1
InChIInChI=1S/C22H24F3N7O/c1-12-7-16(17(9-26)27-4)10-29-21(12)30-19(33)11-32-14(3)20(13(2)31-32)15-5-6-28-18(8-15)22(23,24)25/h5-10,27H,11,26H2,1-4H3,(H,29,30,33)/b17-9-
InChIKeyYSLDLIAUHLVYAY-MFOYZWKCSA-N
MW459.48 g/mol
LogP3.40
Rot. Bonds6

About N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide

N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide (PubChem CID 167075155) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
PubChem CID167075155
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC NameN-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
SMILESCN/C(=C\N)c1cnc(NC(=O)Cn2nc(C)c(-c3ccnc(C(F)(F)F)c3)c2C)c(C)c1
InChIInChI=1S/C22H24F3N7O/c1-12-7-16(17(9-26)27-4)10-29-21(12)30-19(33)11-32-14(3)20(13(2)31-32)15-5-6-28-18(8-15)22(23,24)25/h5-10,27H,11,26H2,1-4H3,(H,29,30,33)/b17-9-
InChIKeyYSLDLIAUHLVYAY-MFOYZWKCSA-N
XLogP3.40
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-[5-[(E)-hept-3-en-4-yl]-2-pyridinyl]acetamide
CID 167075120
2-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46983889
2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46991343
2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 161366452
N-[6-[3,5-dimethyl-1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215254
2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
CID 46983725
2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882
N-(3,5-dichloro-2-pyridinyl)-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503741
N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 167075223
N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 177147967
2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280404
N-(5-chloro-2-pyridinyl)-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503742

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide (CID 167075155) is N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide is CN/C(=C\N)c1cnc(NC(=O)Cn2nc(C)c(-c3ccnc(C(F)(F)F)c3)c2C)c(C)c1.
What is the InChIKey of N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
The InChIKey is YSLDLIAUHLVYAY-MFOYZWKCSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-12-7-16(17(9-26)27-4)10-29-21(12)30-19(33)11-32-14(3)20(13(2)31-32)15-5-6-28-18(8-15)22(23,24)25/h5-10,27H,11,26H2,1-4H3,(H,29,30,33)/b17-9-.
What are the key properties of N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide has a molecular weight of 459.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 167075155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).