5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole

C18H19FN6S — CID 168979373

IUPAC5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole
SMILESCc1cc(-c2nc3cn([C@H]4CCNC[C@@H]4F)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C18H19FN6S/c1-10-5-11(6-12-8-24(2)22-16(10)12)17-21-14-9-25(23-18(14)26-17)15-3-4-20-7-13(15)19/h5-6,8-9,13,15,20H,3-4,7H2,1-2H3/t13-,15-/m0/s1
InChIKeyAIJRPRCZPOEXHU-ZFWWWQNUSA-N
MW370.46 g/mol
LogP3.23
Rot. Bonds2

About 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole

5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole (PubChem CID 168979373) has the molecular formula C18H19FN6S and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole.

Molecular Properties

Compound Name5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole
PubChem CID168979373
Molecular FormulaC18H19FN6S
Molecular Weight370.46 g/mol
Exact Mass370.14
IUPAC Name5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole
SMILESCc1cc(-c2nc3cn([C@H]4CCNC[C@@H]4F)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C18H19FN6S/c1-10-5-11(6-12-8-24(2)22-16(10)12)17-21-14-9-25(23-18(14)26-17)15-3-4-20-7-13(15)19/h5-6,8-9,13,15,20H,3-4,7H2,1-2H3/t13-,15-/m0/s1
InChIKeyAIJRPRCZPOEXHU-ZFWWWQNUSA-N
XLogP3.23
TPSA60.56 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole with MolForge

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Related Compounds

7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
CID 168979240
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
1-(3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 90103792
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
CID 169221314
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-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706
6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 156757727
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
CID 174159605
7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156888169
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888103
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole?
The IUPAC name of 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole (CID 168979373) is 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole.
What is the SMILES notation for 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole?
The canonical SMILES for 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole is Cc1cc(-c2nc3cn([C@H]4CCNC[C@@H]4F)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole?
The InChIKey is AIJRPRCZPOEXHU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H19FN6S/c1-10-5-11(6-12-8-24(2)22-16(10)12)17-21-14-9-25(23-18(14)26-17)15-3-4-20-7-13(15)19/h5-6,8-9,13,15,20H,3-4,7H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole?
5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole has a molecular weight of 370.46 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole is sourced from PubChem (CID 168979373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).