5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole

C19H20FN5OS — CID 162433109

IUPAC5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
SMILESCOc1c(-c2cc3cn(C4CCNCC4)nc3s2)cc(F)c2nn(C)cc12
InChIInChI=1S/C19H20FN5OS/c1-24-10-14-17(22-24)15(20)8-13(18(14)26-2)16-7-11-9-25(23-19(11)27-16)12-3-5-21-6-4-12/h7-10,12,21H,3-6H2,1-2H3
InChIKeyIJCHPTLYRZWSAY-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.72
Rot. Bonds3

About 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole

5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole (PubChem CID 162433109) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole.

Molecular Properties

Compound Name5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
PubChem CID162433109
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
SMILESCOc1c(-c2cc3cn(C4CCNCC4)nc3s2)cc(F)c2nn(C)cc12
InChIInChI=1S/C19H20FN5OS/c1-24-10-14-17(22-24)15(20)8-13(18(14)26-2)16-7-11-9-25(23-19(11)27-16)12-3-5-21-6-4-12/h7-10,12,21H,3-6H2,1-2H3
InChIKeyIJCHPTLYRZWSAY-UHFFFAOYSA-N
XLogP3.72
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole?
The IUPAC name of 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole (CID 162433109) is 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole.
What is the SMILES notation for 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole?
The canonical SMILES for 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole is COc1c(-c2cc3cn(C4CCNCC4)nc3s2)cc(F)c2nn(C)cc12.
What is the InChIKey of 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole?
The InChIKey is IJCHPTLYRZWSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-24-10-14-17(22-24)15(20)8-13(18(14)26-2)16-7-11-9-25(23-19(11)27-16)12-3-5-21-6-4-12/h7-10,12,21H,3-6H2,1-2H3.
What are the key properties of 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole?
5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole has a molecular weight of 385.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-4-methoxy-2-methylindazol-5-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole is sourced from PubChem (CID 162433109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).