3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C19H19ClF3N5O2S — CID 19549548

IUPAC3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(C)c12)n1nc(C)c(Cl)c1C
InChIInChI=1S/C19H19ClF3N5O2S/c1-5-10(28-9(4)13(20)8(3)27-28)17(30)26-14-12-7(2)6-11(19(21,22)23)25-18(12)31-15(14)16(24)29/h6,10H,5H2,1-4H3,(H2,24,29)(H,26,30)
InChIKeyKXPLXWLVRRHNGI-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.78
Rot. Bonds5

About 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19549548) has the molecular formula C19H19ClF3N5O2S and a molecular weight of 473.91 g/mol. Its IUPAC name is 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19549548
Molecular FormulaC19H19ClF3N5O2S
Molecular Weight473.91 g/mol
Exact Mass473.09
IUPAC Name3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(C)c12)n1nc(C)c(Cl)c1C
InChIInChI=1S/C19H19ClF3N5O2S/c1-5-10(28-9(4)13(20)8(3)27-28)17(30)26-14-12-7(2)6-11(19(21,22)23)25-18(12)31-15(14)16(24)29/h6,10H,5H2,1-4H3,(H2,24,29)(H,26,30)
InChIKeyKXPLXWLVRRHNGI-UHFFFAOYSA-N
XLogP4.78
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19281625
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280793
3-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19568677
3-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19552098
4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19267686
3-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19516609
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557523
3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19270867
3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19570228
3-[[2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19529109
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538296
3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19520372

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19549548) is 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCC(C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(C)c12)n1nc(C)c(Cl)c1C.
What is the InChIKey of 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KXPLXWLVRRHNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2S/c1-5-10(28-9(4)13(20)8(3)27-28)17(30)26-14-12-7(2)6-11(19(21,22)23)25-18(12)31-15(14)16(24)29/h6,10H,5H2,1-4H3,(H2,24,29)(H,26,30).
What are the key properties of 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 473.91 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19549548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).