[3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone

C21H12F4N2OS — CID 3394892

IUPAC[3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)F)cc(-c3ccccc3)c12
InChIInChI=1S/C21H12F4N2OS/c22-11-6-7-12(14(23)8-11)18(28)19-17(26)16-13(10-4-2-1-3-5-10)9-15(20(24)25)27-21(16)29-19/h1-9,20H,26H2
InChIKeyVPRZPHMMOPUCQU-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.99
Rot. Bonds4

About [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone

[3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone (PubChem CID 3394892) has the molecular formula C21H12F4N2OS and a molecular weight of 416.40 g/mol. Its IUPAC name is [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
PubChem CID3394892
Molecular FormulaC21H12F4N2OS
Molecular Weight416.40 g/mol
Exact Mass416.06
IUPAC Name[3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)F)cc(-c3ccccc3)c12
InChIInChI=1S/C21H12F4N2OS/c22-11-6-7-12(14(23)8-11)18(28)19-17(26)16-13(10-4-2-1-3-5-10)9-15(20(24)25)27-21(16)29-19/h1-9,20H,26H2
InChIKeyVPRZPHMMOPUCQU-UHFFFAOYSA-N
XLogP5.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone 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-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
[3-amino-4-(furan-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
CID 19571604
[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 1001525
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 17024715
6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19453239
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19509458
[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
CID 144756244
6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 4776641
6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19413138
3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19514263
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 4251194

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone (CID 3394892) is [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)F)cc(-c3ccccc3)c12.
What is the InChIKey of [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is VPRZPHMMOPUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2OS/c22-11-6-7-12(14(23)8-11)18(28)19-17(26)16-13(10-4-2-1-3-5-10)9-15(20(24)25)27-21(16)29-19/h1-9,20H,26H2.
What are the key properties of [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone?
[3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 416.40 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 3394892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).