3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C17H16ClF2N5O2S — CID 19534026

IUPAC3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C(C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)cc1Cl
InChIInChI=1S/C17H16ClF2N5O2S/c1-6-4-10(14(19)20)22-17-11(6)12(13(28-17)15(21)26)23-16(27)8(3)25-5-9(18)7(2)24-25/h4-5,8,14H,1-3H3,(H2,21,26)(H,23,27)
InChIKeyXKMUYNCBTDRVHN-UHFFFAOYSA-N
MW427.86 g/mol
LogP4.00
Rot. Bonds5

About 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19534026) has the molecular formula C17H16ClF2N5O2S and a molecular weight of 427.86 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19534026
Molecular FormulaC17H16ClF2N5O2S
Molecular Weight427.86 g/mol
Exact Mass427.07
IUPAC Name3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C(C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)cc1Cl
InChIInChI=1S/C17H16ClF2N5O2S/c1-6-4-10(14(19)20)22-17-11(6)12(13(28-17)15(21)26)23-16(27)8(3)25-5-9(18)7(2)24-25/h4-5,8,14H,1-3H3,(H2,21,26)(H,23,27)
InChIKeyXKMUYNCBTDRVHN-UHFFFAOYSA-N
XLogP4.00
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[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

3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534101
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19534117
6-(difluoromethyl)-3-[(1-ethylpyrazole-4-carbonyl)amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19281073
3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538010
3-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19535939
3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19448456
6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19521917
6-(difluoromethyl)-4-methyl-3-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19263950
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[2-(3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19537107
3-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19535581
3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538333
6-(difluoromethyl)-3-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19511542

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19534026) is 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C(C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)cc1Cl.
What is the InChIKey of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XKMUYNCBTDRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N5O2S/c1-6-4-10(14(19)20)22-17-11(6)12(13(28-17)15(21)26)23-16(27)8(3)25-5-9(18)7(2)24-25/h4-5,8,14H,1-3H3,(H2,21,26)(H,23,27).
What are the key properties of 3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 427.86 g/mol, XLogP of 4.00, 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-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19534026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).