2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole

C18H19FN6S — CID 178050881

IUPAC2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(F)c(-c2nn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C18H19FN6S/c1-10-15(19)13(7-12-8-24(2)22-16(10)12)17-23-25-9-14(21-18(25)26-17)11-3-5-20-6-4-11/h7-9,11,20H,3-6H2,1-2H3
InChIKeyLWACSPHRCKYGBR-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.26
Rot. Bonds2

About 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 178050881) has the molecular formula C18H19FN6S and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID178050881
Molecular FormulaC18H19FN6S
Molecular Weight370.46 g/mol
Exact Mass370.14
IUPAC Name2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(F)c(-c2nn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C18H19FN6S/c1-10-15(19)13(7-12-8-24(2)22-16(10)12)17-23-25-9-14(21-18(25)26-17)11-3-5-20-6-4-11/h7-9,11,20H,3-6H2,1-2H3
InChIKeyLWACSPHRCKYGBR-UHFFFAOYSA-N
XLogP3.26
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

2-(7-ethynyl-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051151
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698
2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051115
6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 178051022
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
CID 174159605
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
tert-butyl 5-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]azocane-1-carboxylate
CID 178051128
2-[(1R)-3-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]cyclopentyl]-N-methylethanamine
CID 178051052
7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
CID 168979240
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 178050881) is 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1c(F)c(-c2nn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is LWACSPHRCKYGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6S/c1-10-15(19)13(7-12-8-24(2)22-16(10)12)17-23-25-9-14(21-18(25)26-17)11-3-5-20-6-4-11/h7-9,11,20H,3-6H2,1-2H3.
What are the key properties of 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 370.46 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 178050881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).