5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole

C22H19N7S — CID 86275248

IUPAC5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole
SMILESc1ccc2c(-c3cnn4cc(-c5ncc(N6CCNCC6)s5)cnc34)ccnc2c1
InChIInChI=1S/C22H19N7S/c1-2-4-19-17(3-1)16(5-6-24-19)18-12-27-29-14-15(11-25-21(18)29)22-26-13-20(30-22)28-9-7-23-8-10-28/h1-6,11-14,23H,7-10H2
InChIKeyXJRNYUDHNXZYCF-UHFFFAOYSA-N
MW413.51 g/mol
LogP3.48
Rot. Bonds3

About 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole

5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole (PubChem CID 86275248) has the molecular formula C22H19N7S and a molecular weight of 413.51 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole
PubChem CID86275248
Molecular FormulaC22H19N7S
Molecular Weight413.51 g/mol
Exact Mass413.14
IUPAC Name5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole
SMILESc1ccc2c(-c3cnn4cc(-c5ncc(N6CCNCC6)s5)cnc34)ccnc2c1
InChIInChI=1S/C22H19N7S/c1-2-4-19-17(3-1)16(5-6-24-19)18-12-27-29-14-15(11-25-21(18)29)22-26-13-20(30-22)28-9-7-23-8-10-28/h1-6,11-14,23H,7-10H2
InChIKeyXJRNYUDHNXZYCF-UHFFFAOYSA-N
XLogP3.48
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole?
The IUPAC name of 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole (CID 86275248) is 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole.
What is the SMILES notation for 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole?
The canonical SMILES for 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole is c1ccc2c(-c3cnn4cc(-c5ncc(N6CCNCC6)s5)cnc34)ccnc2c1.
What is the InChIKey of 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole?
The InChIKey is XJRNYUDHNXZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7S/c1-2-4-19-17(3-1)16(5-6-24-19)18-12-27-29-14-15(11-25-21(18)29)22-26-13-20(30-22)28-9-7-23-8-10-28/h1-6,11-14,23H,7-10H2.
What are the key properties of 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole?
5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole has a molecular weight of 413.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)-1,3-thiazole is sourced from PubChem (CID 86275248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).