7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol

C18H18FN5OS — CID 162433180

IUPAC7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol
SMILESCn1cc2cc(-c3cc4cn(C5CCNCC5)nc4s3)c(O)c(F)c2n1
InChIInChI=1S/C18H18FN5OS/c1-23-8-10-6-13(17(25)15(19)16(10)21-23)14-7-11-9-24(22-18(11)26-14)12-2-4-20-5-3-12/h6-9,12,20,25H,2-5H2,1H3
InChIKeyQOQQPXWLCSPRCH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.42
Rot. Bonds2

About 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol

7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol (PubChem CID 162433180) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol.

Molecular Properties

Compound Name7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol
PubChem CID162433180
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol
SMILESCn1cc2cc(-c3cc4cn(C5CCNCC5)nc4s3)c(O)c(F)c2n1
InChIInChI=1S/C18H18FN5OS/c1-23-8-10-6-13(17(25)15(19)16(10)21-23)14-7-11-9-24(22-18(11)26-14)12-2-4-20-5-3-12/h6-9,12,20,25H,2-5H2,1H3
InChIKeyQOQQPXWLCSPRCH-UHFFFAOYSA-N
XLogP3.42
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
The IUPAC name of 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol (CID 162433180) is 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol.
What is the SMILES notation for 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
The canonical SMILES for 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol is Cn1cc2cc(-c3cc4cn(C5CCNCC5)nc4s3)c(O)c(F)c2n1.
What is the InChIKey of 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
The InChIKey is QOQQPXWLCSPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-23-8-10-6-13(17(25)15(19)16(10)21-23)14-7-11-9-24(22-18(11)26-14)12-2-4-20-5-3-12/h6-9,12,20,25H,2-5H2,1H3.
What are the key properties of 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol has a molecular weight of 371.44 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol is sourced from PubChem (CID 162433180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).