4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

C18H17F2N5O2S — CID 19474086

IUPAC4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cnn1C
InChIInChI=1S/C18H17F2N5O2S/c1-7-10(6-22-25(7)2)17(27)24-13-12-9(8-3-4-8)5-11(15(19)20)23-18(12)28-14(13)16(21)26/h5-6,8,15H,3-4H2,1-2H3,(H2,21,26)(H,24,27)
InChIKeyYLRXBSXIJCLOTJ-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.50
Rot. Bonds5

About 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19474086) has the molecular formula C18H17F2N5O2S and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19474086
Molecular FormulaC18H17F2N5O2S
Molecular Weight405.43 g/mol
Exact Mass405.11
IUPAC Name4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cnn1C
InChIInChI=1S/C18H17F2N5O2S/c1-7-10(6-22-25(7)2)17(27)24-13-12-9(8-3-4-8)5-11(15(19)20)23-18(12)28-14(13)16(21)26/h5-6,8,15H,3-4H2,1-2H3,(H2,21,26)(H,24,27)
InChIKeyYLRXBSXIJCLOTJ-UHFFFAOYSA-N
XLogP3.50
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide 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

4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19267743
3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19477347
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19451454
3-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19479390
4-cyclopropyl-6-(difluoromethyl)-3-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19568164
4-cyclopropyl-6-(difluoromethyl)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19416777
4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19414346
3-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19564406
4-cyclopropyl-6-(difluoromethyl)-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19528621
4-cyclopropyl-6-(difluoromethyl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 135803214
4-cyclopropyl-6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19511602
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19447520

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19474086) is 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cnn1C.
What is the InChIKey of 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YLRXBSXIJCLOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2S/c1-7-10(6-22-25(7)2)17(27)24-13-12-9(8-3-4-8)5-11(15(19)20)23-18(12)28-14(13)16(21)26/h5-6,8,15H,3-4H2,1-2H3,(H2,21,26)(H,24,27).
What are the key properties of 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19474086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).