6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine

C20H13FN4S2 — CID 7251237

IUPAC6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2cc3ncnc(SCc4cn5ccccc5n4)c3s2)cc1
InChIInChI=1S/C20H13FN4S2/c21-14-6-4-13(5-7-14)17-9-16-19(27-17)20(23-12-22-16)26-11-15-10-25-8-2-1-3-18(25)24-15/h1-10,12H,11H2
InChIKeyPPEBUTINJWGLOX-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.44
Rot. Bonds4

About 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine

6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine (PubChem CID 7251237) has the molecular formula C20H13FN4S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine
PubChem CID7251237
Molecular FormulaC20H13FN4S2
Molecular Weight392.48 g/mol
Exact Mass392.06
IUPAC Name6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2cc3ncnc(SCc4cn5ccccc5n4)c3s2)cc1
InChIInChI=1S/C20H13FN4S2/c21-14-6-4-13(5-7-14)17-9-16-19(27-17)20(23-12-22-16)26-11-15-10-25-8-2-1-3-18(25)24-15/h1-10,12H,11H2
InChIKeyPPEBUTINJWGLOX-UHFFFAOYSA-N
XLogP5.44
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine 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

2-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 31395575
6-(4-fluorophenyl)-4-(3-phenoxypropylsulfanyl)thieno[3,2-d]pyrimidine
CID 7630827
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
N-benzyl-5-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 35424416
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17459369
6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
CID 8642556
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7468825
3-[(4-fluorophenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7225921
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
3-butyl-7-ethyl-8-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]purine-2,6-dione
CID 16565290
4-[[2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 31197030

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine (CID 7251237) is 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine is Fc1ccc(-c2cc3ncnc(SCc4cn5ccccc5n4)c3s2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine?
The InChIKey is PPEBUTINJWGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4S2/c21-14-6-4-13(5-7-14)17-9-16-19(27-17)20(23-12-22-16)26-11-15-10-25-8-2-1-3-18(25)24-15/h1-10,12H,11H2.
What are the key properties of 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine?
6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine has a molecular weight of 392.48 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 7251237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).