2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole

C36H32F2N8S4 — CID 162432931

IUPAC2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole
SMILESCc1cn2cc(-c3nc4sc(C5CCNC(C6CC(c7cc8sc(-c9cc(F)c%10cn(C)nc%10c9)nc8s7)CCN6)C5)cc4s3)cc(F)c2n1
InChIInChI=1S/C36H32F2N8S4/c1-17-14-46-15-21(8-24(38)32(46)41-17)34-43-36-31(50-34)13-29(48-36)19-4-6-40-27(10-19)26-9-18(3-5-39-26)28-12-30-35(47-28)42-33(49-30)20-7-23(37)22-16-45(2)44-25(22)11-20/h7-8,11-16,18-19,26-27,39-40H,3-6,9-10H2,1-2H3
InChIKeyJFKKEBPSNGQEFC-UHFFFAOYSA-N
MW742.97 g/mol
LogP8.86
Rot. Bonds5

About 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole (PubChem CID 162432931) has the molecular formula C36H32F2N8S4 and a molecular weight of 742.97 g/mol. Its IUPAC name is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole
PubChem CID162432931
Molecular FormulaC36H32F2N8S4
Molecular Weight742.97 g/mol
Exact Mass742.16
IUPAC Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole
SMILESCc1cn2cc(-c3nc4sc(C5CCNC(C6CC(c7cc8sc(-c9cc(F)c%10cn(C)nc%10c9)nc8s7)CCN6)C5)cc4s3)cc(F)c2n1
InChIInChI=1S/C36H32F2N8S4/c1-17-14-46-15-21(8-24(38)32(46)41-17)34-43-36-31(50-34)13-29(48-36)19-4-6-40-27(10-19)26-9-18(3-5-39-26)28-12-30-35(47-28)42-33(49-30)20-7-23(37)22-16-45(2)44-25(22)11-20/h7-8,11-16,18-19,26-27,39-40H,3-6,9-10H2,1-2H3
InChIKeyJFKKEBPSNGQEFC-UHFFFAOYSA-N
XLogP8.86
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 58.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole?
The IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole (CID 162432931) is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole?
The canonical SMILES for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole is Cc1cn2cc(-c3nc4sc(C5CCNC(C6CC(c7cc8sc(-c9cc(F)c%10cn(C)nc%10c9)nc8s7)CCN6)C5)cc4s3)cc(F)c2n1.
What is the InChIKey of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole?
The InChIKey is JFKKEBPSNGQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F2N8S4/c1-17-14-46-15-21(8-24(38)32(46)41-17)34-43-36-31(50-34)13-29(48-36)19-4-6-40-27(10-19)26-9-18(3-5-39-26)28-12-30-35(47-28)42-33(49-30)20-7-23(37)22-16-45(2)44-25(22)11-20/h7-8,11-16,18-19,26-27,39-40H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole?
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole has a molecular weight of 742.97 g/mol, XLogP of 8.86, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 162432931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).