7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol

C17H17FN6OS — CID 168979240

IUPAC7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
SMILESCn1cc2cc(-c3nc4cn(C5CCNCC5)nc4s3)c(O)c(F)c2n1
InChIInChI=1S/C17H17FN6OS/c1-23-7-9-6-11(15(25)13(18)14(9)21-23)16-20-12-8-24(22-17(12)26-16)10-2-4-19-5-3-10/h6-8,10,19,25H,2-5H2,1H3
InChIKeyZGIYEPPZFVGABR-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.82
Rot. Bonds2

About 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol

7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol (PubChem CID 168979240) has the molecular formula C17H17FN6OS and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol.

Molecular Properties

Compound Name7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
PubChem CID168979240
Molecular FormulaC17H17FN6OS
Molecular Weight372.43 g/mol
Exact Mass372.12
IUPAC Name7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol
SMILESCn1cc2cc(-c3nc4cn(C5CCNCC5)nc4s3)c(O)c(F)c2n1
InChIInChI=1S/C17H17FN6OS/c1-23-7-9-6-11(15(25)13(18)14(9)21-23)16-20-12-8-24(22-17(12)26-16)10-2-4-19-5-3-10/h6-8,10,19,25H,2-5H2,1H3
InChIKeyZGIYEPPZFVGABR-UHFFFAOYSA-N
XLogP2.82
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol?
The IUPAC name of 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol (CID 168979240) is 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol.
What is the SMILES notation for 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol?
The canonical SMILES for 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol is Cn1cc2cc(-c3nc4cn(C5CCNCC5)nc4s3)c(O)c(F)c2n1.
What is the InChIKey of 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol?
The InChIKey is ZGIYEPPZFVGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6OS/c1-23-7-9-6-11(15(25)13(18)14(9)21-23)16-20-12-8-24(22-17(12)26-16)10-2-4-19-5-3-10/h6-8,10,19,25H,2-5H2,1H3.
What are the key properties of 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol?
7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol has a molecular weight of 372.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-5-(2-piperidin-4-ylpyrazolo[4,3-d][1,3]thiazol-5-yl)indazol-6-ol is sourced from PubChem (CID 168979240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).