4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole

C36H33F2N9OS2 — CID 166922941

IUPAC4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole
SMILESCc1cn2cc(-n3cc4sc(C5CCNC(C6CC(c7cc8nn(-c9cc(F)c%10nc(C)oc%10c9)cc8s7)CCN6)C5)cc4n3)cc(F)c2n1
InChIInChI=1S/C36H33F2N9OS2/c1-18-14-45-15-23(10-25(38)36(45)41-18)47-17-34-29(44-47)13-32(50-34)21-4-6-40-27(8-21)26-7-20(3-5-39-26)31-12-28-33(49-31)16-46(43-28)22-9-24(37)35-30(11-22)48-19(2)42-35/h9-17,20-21,26-27,39-40H,3-8H2,1-2H3
InChIKeyQVIKWUIURNXKKL-UHFFFAOYSA-N
MW709.85 g/mol
LogP7.54
Rot. Bonds5

About 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole

4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole (PubChem CID 166922941) has the molecular formula C36H33F2N9OS2 and a molecular weight of 709.85 g/mol. Its IUPAC name is 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole
PubChem CID166922941
Molecular FormulaC36H33F2N9OS2
Molecular Weight709.85 g/mol
Exact Mass709.22
IUPAC Name4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole
SMILESCc1cn2cc(-n3cc4sc(C5CCNC(C6CC(c7cc8nn(-c9cc(F)c%10nc(C)oc%10c9)cc8s7)CCN6)C5)cc4n3)cc(F)c2n1
InChIInChI=1S/C36H33F2N9OS2/c1-18-14-45-15-23(10-25(38)36(45)41-18)47-17-34-29(44-47)13-32(50-34)21-4-6-40-27(8-21)26-7-20(3-5-39-26)31-12-28-33(49-31)16-46(43-28)22-9-24(37)35-30(11-22)48-19(2)42-35/h9-17,20-21,26-27,39-40H,3-8H2,1-2H3
InChIKeyQVIKWUIURNXKKL-UHFFFAOYSA-N
XLogP7.54
TPSA103.03 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.85
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole 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 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole (CID 166922941) is 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole is Cc1cn2cc(-n3cc4sc(C5CCNC(C6CC(c7cc8nn(-c9cc(F)c%10nc(C)oc%10c9)cc8s7)CCN6)C5)cc4n3)cc(F)c2n1.
What is the InChIKey of 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is QVIKWUIURNXKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N9OS2/c1-18-14-45-15-23(10-25(38)36(45)41-18)47-17-34-29(44-47)13-32(50-34)21-4-6-40-27(8-21)26-7-20(3-5-39-26)31-12-28-33(49-31)16-46(43-28)22-9-24(37)35-30(11-22)48-19(2)42-35/h9-17,20-21,26-27,39-40H,3-8H2,1-2H3.
What are the key properties of 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole?
4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 709.85 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 166922941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).