2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide

C19H19F3N6O — CID 66992529

IUPAC2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
SMILESCc1cc(Nc2cc(Nc3c(C)cccc3C(N)=O)c(C(F)(F)F)cn2)n(C)n1
InChIInChI=1S/C19H19F3N6O/c1-10-5-4-6-12(18(23)29)17(10)25-14-8-15(24-9-13(14)19(20,21)22)26-16-7-11(2)27-28(16)3/h4-9H,1-3H3,(H2,23,29)(H2,24,25,26)
InChIKeyMAVHWFFABISJQW-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.04
Rot. Bonds5

About 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide

2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide (PubChem CID 66992529) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
PubChem CID66992529
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
SMILESCc1cc(Nc2cc(Nc3c(C)cccc3C(N)=O)c(C(F)(F)F)cn2)n(C)n1
InChIInChI=1S/C19H19F3N6O/c1-10-5-4-6-12(18(23)29)17(10)25-14-8-15(24-9-13(14)19(20,21)22)26-16-7-11(2)27-28(16)3/h4-9H,1-3H3,(H2,23,29)(H2,24,25,26)
InChIKeyMAVHWFFABISJQW-UHFFFAOYSA-N
XLogP4.04
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide?
The IUPAC name of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide (CID 66992529) is 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide.
What is the SMILES notation for 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide?
The canonical SMILES for 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide is Cc1cc(Nc2cc(Nc3c(C)cccc3C(N)=O)c(C(F)(F)F)cn2)n(C)n1.
What is the InChIKey of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide?
The InChIKey is MAVHWFFABISJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-10-5-4-6-12(18(23)29)17(10)25-14-8-15(24-9-13(14)19(20,21)22)26-16-7-11(2)27-28(16)3/h4-9H,1-3H3,(H2,23,29)(H2,24,25,26).
What are the key properties of 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide?
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide has a molecular weight of 404.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide is sourced from PubChem (CID 66992529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).