2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole

C37H37FN10S2 — CID 166922968

IUPAC2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole
SMILESCc1cn2cc(-n3cc4sc(C5CCNC(C6CC(c7cc8cn(-c9cc(F)c%10cn(C)nc%10c9)nc8s7)CCN6)C5)cc4n3)cc(C)c2n1
InChIInChI=1S/C37H37FN10S2/c1-20-8-26(17-46-15-21(2)41-36(20)46)48-19-35-32(43-48)14-34(49-35)23-5-7-40-31(10-23)30-9-22(4-6-39-30)33-11-24-16-47(44-37(24)50-33)25-12-28(38)27-18-45(3)42-29(27)13-25/h8,11-19,22-23,30-31,39-40H,4-7,9-10H2,1-3H3
InChIKeyVCFBECSTSFLTDI-UHFFFAOYSA-N
MW704.91 g/mol
LogP7.15
Rot. Bonds5

About 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole

2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole (PubChem CID 166922968) has the molecular formula C37H37FN10S2 and a molecular weight of 704.91 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole
PubChem CID166922968
Molecular FormulaC37H37FN10S2
Molecular Weight704.91 g/mol
Exact Mass704.26
IUPAC Name2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole
SMILESCc1cn2cc(-n3cc4sc(C5CCNC(C6CC(c7cc8cn(-c9cc(F)c%10cn(C)nc%10c9)nc8s7)CCN6)C5)cc4n3)cc(C)c2n1
InChIInChI=1S/C37H37FN10S2/c1-20-8-26(17-46-15-21(2)41-36(20)46)48-19-35-32(43-48)14-34(49-35)23-5-7-40-31(10-23)30-9-22(4-6-39-30)33-11-24-16-47(44-37(24)50-33)25-12-28(38)27-18-45(3)42-29(27)13-25/h8,11-19,22-23,30-31,39-40H,4-7,9-10H2,1-3H3
InChIKeyVCFBECSTSFLTDI-UHFFFAOYSA-N
XLogP7.15
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.91
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole (CID 166922968) is 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole is Cc1cn2cc(-n3cc4sc(C5CCNC(C6CC(c7cc8cn(-c9cc(F)c%10cn(C)nc%10c9)nc8s7)CCN6)C5)cc4n3)cc(C)c2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole?
The InChIKey is VCFBECSTSFLTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37FN10S2/c1-20-8-26(17-46-15-21(2)41-36(20)46)48-19-35-32(43-48)14-34(49-35)23-5-7-40-31(10-23)30-9-22(4-6-39-30)33-11-24-16-47(44-37(24)50-33)25-12-28(38)27-18-45(3)42-29(27)13-25/h8,11-19,22-23,30-31,39-40H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole?
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole has a molecular weight of 704.91 g/mol, XLogP of 7.15, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-5-[2-[4-[2-(4-fluoro-2-methylindazol-6-yl)thieno[2,3-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazole is sourced from PubChem (CID 166922968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).