6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

C21H14F2N6O2S2 — CID 19416748

IUPAC6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cnn4c(-c5cccs5)ccnc34)c12
InChIInChI=1S/C21H14F2N6O2S2/c1-9-7-11(17(22)23)27-21-14(9)15(16(33-21)18(24)30)28-20(31)10-8-26-29-12(4-5-25-19(10)29)13-3-2-6-32-13/h2-8,17H,1H3,(H2,24,30)(H,28,31)
InChIKeyFLBLYSQGTLFTQV-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.66
Rot. Bonds5

About 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416748) has the molecular formula C21H14F2N6O2S2 and a molecular weight of 484.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19416748
Molecular FormulaC21H14F2N6O2S2
Molecular Weight484.51 g/mol
Exact Mass484.06
IUPAC Name6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cnn4c(-c5cccs5)ccnc34)c12
InChIInChI=1S/C21H14F2N6O2S2/c1-9-7-11(17(22)23)27-21-14(9)15(16(33-21)18(24)30)28-20(31)10-8-26-29-12(4-5-25-19(10)29)13-3-2-6-32-13/h2-8,17H,1H3,(H2,24,30)(H,28,31)
InChIKeyFLBLYSQGTLFTQV-UHFFFAOYSA-N
XLogP4.66
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-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

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19416748) is 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cnn4c(-c5cccs5)ccnc34)c12.
What is the InChIKey of 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FLBLYSQGTLFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O2S2/c1-9-7-11(17(22)23)27-21-14(9)15(16(33-21)18(24)30)28-20(31)10-8-26-29-12(4-5-25-19(10)29)13-3-2-6-32-13/h2-8,17H,1H3,(H2,24,30)(H,28,31).
What are the key properties of 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).