2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide

C20H21F3N6O2 — CID 123423223

IUPAC2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide
SMILESCOCc1cccc(Nc2cc(Nc3cn(C)nc3C)ncc2C(F)(F)F)c1C(N)=O
InChIInChI=1S/C20H21F3N6O2/c1-11-16(9-29(2)28-11)27-17-7-15(13(8-25-17)20(21,22)23)26-14-6-4-5-12(10-31-3)18(14)19(24)30/h4-9H,10H2,1-3H3,(H2,24,30)(H2,25,26,27)
InChIKeyJTPWRQYGHWIYQL-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.87
Rot. Bonds7

About 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide

2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide (PubChem CID 123423223) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide
PubChem CID123423223
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide
SMILESCOCc1cccc(Nc2cc(Nc3cn(C)nc3C)ncc2C(F)(F)F)c1C(N)=O
InChIInChI=1S/C20H21F3N6O2/c1-11-16(9-29(2)28-11)27-17-7-15(13(8-25-17)20(21,22)23)26-14-6-4-5-12(10-31-3)18(14)19(24)30/h4-9H,10H2,1-3H3,(H2,24,30)(H2,25,26,27)
InChIKeyJTPWRQYGHWIYQL-UHFFFAOYSA-N
XLogP3.87
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
CID 91000279
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N,5-dimethylbenzamide
CID 44537931
8-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174618240
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 91496649
2-[amino-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-4-fluoro-N-methoxybenzamide
CID 90127082
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
CID 66992529
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082
3-methyl-2-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 142787848
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096
N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 117076476
N-[5-(2-amino-1,1-difluoroethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166858310

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide?
The IUPAC name of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide (CID 123423223) is 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide.
What is the SMILES notation for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide?
The canonical SMILES for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide is COCc1cccc(Nc2cc(Nc3cn(C)nc3C)ncc2C(F)(F)F)c1C(N)=O.
What is the InChIKey of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide?
The InChIKey is JTPWRQYGHWIYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-11-16(9-29(2)28-11)27-17-7-15(13(8-25-17)20(21,22)23)26-14-6-4-5-12(10-31-3)18(14)19(24)30/h4-9H,10H2,1-3H3,(H2,24,30)(H2,25,26,27).
What are the key properties of 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide?
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide has a molecular weight of 434.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide is sourced from PubChem (CID 123423223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).