6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C21H17F2N5O2S — CID 19262276

IUPAC6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)n1
InChIInChI=1S/C21H17F2N5O2S/c1-2-28-9-8-13(27-28)20(30)26-16-15-12(11-6-4-3-5-7-11)10-14(18(22)23)25-21(15)31-17(16)19(24)29/h3-10,18H,2H2,1H3,(H2,24,29)(H,26,30)
InChIKeyHDRLCRKUTQQADB-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.47
Rot. Bonds6

About 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19262276) has the molecular formula C21H17F2N5O2S and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19262276
Molecular FormulaC21H17F2N5O2S
Molecular Weight441.46 g/mol
Exact Mass441.11
IUPAC Name6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)n1
InChIInChI=1S/C21H17F2N5O2S/c1-2-28-9-8-13(27-28)20(30)26-16-15-12(11-6-4-3-5-7-11)10-14(18(22)23)25-21(15)31-17(16)19(24)29/h3-10,18H,2H2,1H3,(H2,24,29)(H,26,30)
InChIKeyHDRLCRKUTQQADB-UHFFFAOYSA-N
XLogP4.47
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19271790
6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19264752
6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19276398
6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 4776641
3-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280387
3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19266239
6-(difluoromethyl)-3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19416475
6-(difluoromethyl)-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19281473
3-[[1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19268867
3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19517532
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19509458
6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19269494

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19262276) is 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is CCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccccc4)c23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HDRLCRKUTQQADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2S/c1-2-28-9-8-13(27-28)20(30)26-16-15-12(11-6-4-3-5-7-11)10-14(18(22)23)25-21(15)31-17(16)19(24)29/h3-10,18H,2H2,1H3,(H2,24,29)(H,26,30).
What are the key properties of 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).