6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C17H14F5N5O2S — CID 19521917

IUPAC6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)n1
InChIInChI=1S/C17H14F5N5O2S/c1-6-3-8(14(18)19)24-16-11(6)12(13(30-16)15(23)29)25-10(28)5-27-9(17(20,21)22)4-7(2)26-27/h3-4,14H,5H2,1-2H3,(H2,23,29)(H,25,28)
InChIKeyMPXXOODFDBRNDR-UHFFFAOYSA-N
MW447.39 g/mol
LogP3.80
Rot. Bonds5

About 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19521917) has the molecular formula C17H14F5N5O2S and a molecular weight of 447.39 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19521917
Molecular FormulaC17H14F5N5O2S
Molecular Weight447.39 g/mol
Exact Mass447.08
IUPAC Name6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)n1
InChIInChI=1S/C17H14F5N5O2S/c1-6-3-8(14(18)19)24-16-11(6)12(13(30-16)15(23)29)25-10(28)5-27-9(17(20,21)22)4-7(2)26-27/h3-4,14H,5H2,1-2H3,(H2,23,29)(H,25,28)
InChIKeyMPXXOODFDBRNDR-UHFFFAOYSA-N
XLogP3.80
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19516609
3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19520372
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19447444
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557523
6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19466134
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
6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19519613
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19534026
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-3-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19524474
6-(difluoromethyl)-3-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19524341
6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19517059
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19530980

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19521917) is 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)n(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)n1.
What is the InChIKey of 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MPXXOODFDBRNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5O2S/c1-6-3-8(14(18)19)24-16-11(6)12(13(30-16)15(23)29)25-10(28)5-27-9(17(20,21)22)4-7(2)26-27/h3-4,14H,5H2,1-2H3,(H2,23,29)(H,25,28).
What are the key properties of 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19521917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).