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

C26H16F2N6O2S2 — CID 19416753

IUPAC6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C26H16F2N6O2S2/c27-22(28)16-11-14(13-5-2-1-3-6-13)19-20(21(23(29)35)38-26(19)32-16)33-25(36)15-12-31-34-17(8-9-30-24(15)34)18-7-4-10-37-18/h1-12,22H,(H2,29,35)(H,33,36)
InChIKeyGMERVCUOIATWEY-UHFFFAOYSA-N
MW546.58 g/mol
LogP6.02
Rot. Bonds6

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

6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19416753) has the molecular formula C26H16F2N6O2S2 and a molecular weight of 546.58 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-phenyl-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-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19416753
Molecular FormulaC26H16F2N6O2S2
Molecular Weight546.58 g/mol
Exact Mass546.07
IUPAC Name6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C26H16F2N6O2S2/c27-22(28)16-11-14(13-5-2-1-3-6-13)19-20(21(23(29)35)38-26(19)32-16)33-25(36)15-12-31-34-17(8-9-30-24(15)34)18-7-4-10-37-18/h1-12,22H,(H2,29,35)(H,33,36)
InChIKeyGMERVCUOIATWEY-UHFFFAOYSA-N
XLogP6.02
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethyl)-4-phenyl-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-phenyl-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-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19416753) is 6-(difluoromethyl)-4-phenyl-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-phenyl-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-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of 6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GMERVCUOIATWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N6O2S2/c27-22(28)16-11-14(13-5-2-1-3-6-13)19-20(21(23(29)35)38-26(19)32-16)33-25(36)15-12-31-34-17(8-9-30-24(15)34)18-7-4-10-37-18/h1-12,22H,(H2,29,35)(H,33,36).
What are the key properties of 6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-phenyl-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19416753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).