ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate

C21H17F2N5O5S — CID 19267236

IUPACethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)nn1C
InChIInChI=1S/C21H17F2N5O5S/c1-3-32-21(31)12-8-11(27-28(12)2)19(30)26-15-14-9(13-5-4-6-33-13)7-10(17(22)23)25-20(14)34-16(15)18(24)29/h4-8,17H,3H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeyPSUSKHODERFCFI-UHFFFAOYSA-N
MW489.46 g/mol
LogP3.76
Rot. Bonds7

About ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate

ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate (PubChem CID 19267236) has the molecular formula C21H17F2N5O5S and a molecular weight of 489.46 g/mol. Its IUPAC name is ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
PubChem CID19267236
Molecular FormulaC21H17F2N5O5S
Molecular Weight489.46 g/mol
Exact Mass489.09
IUPAC Nameethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)nn1C
InChIInChI=1S/C21H17F2N5O5S/c1-3-32-21(31)12-8-11(27-28(12)2)19(30)26-15-14-9(13-5-4-6-33-13)7-10(17(22)23)25-20(14)34-16(15)18(24)29/h4-8,17H,3H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeyPSUSKHODERFCFI-UHFFFAOYSA-N
XLogP3.76
TPSA142.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280637
6-(difluoromethyl)-3-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19269494
3-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19455703
6-(difluoromethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557663
6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517057
3-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19517359
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19514045
6-(difluoromethyl)-4-(furan-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19265662
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19465980
6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19279798
6-(difluoromethyl)-4-(furan-2-yl)-3-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19461525
6-(difluoromethyl)-4-(furan-2-yl)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509284

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate (CID 19267236) is ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate is CCOC(=O)c1cc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4ccco4)c23)nn1C.
What is the InChIKey of ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is PSUSKHODERFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O5S/c1-3-32-21(31)12-8-11(27-28(12)2)19(30)26-15-14-9(13-5-4-6-33-13)7-10(17(22)23)25-20(14)34-16(15)18(24)29/h4-8,17H,3H2,1-2H3,(H2,24,29)(H,26,30).
What are the key properties of ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate?
ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 489.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-carbamoyl-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridin-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19267236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).