5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine

C19H20N6S — CID 130416448

IUPAC5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESC1=C(c2ccc3sc(-c4ccc(N5CCCCC5)nc4)nc3n2)CNN1
InChIInChI=1S/C19H20N6S/c1-2-8-25(9-3-1)17-7-4-13(10-20-17)19-24-18-16(26-19)6-5-15(23-18)14-11-21-22-12-14/h4-7,10-11,21-22H,1-3,8-9,12H2
InChIKeyUZBLQFGQLUKNGE-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.19
Rot. Bonds3

About 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine

5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 130416448) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID130416448
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESC1=C(c2ccc3sc(-c4ccc(N5CCCCC5)nc4)nc3n2)CNN1
InChIInChI=1S/C19H20N6S/c1-2-8-25(9-3-1)17-7-4-13(10-20-17)19-24-18-16(26-19)6-5-15(23-18)14-11-21-22-12-14/h4-7,10-11,21-22H,1-3,8-9,12H2
InChIKeyUZBLQFGQLUKNGE-UHFFFAOYSA-N
XLogP3.19
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine (CID 130416448) is 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine is C1=C(c2ccc3sc(-c4ccc(N5CCCCC5)nc4)nc3n2)CNN1.
What is the InChIKey of 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is UZBLQFGQLUKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-2-8-25(9-3-1)17-7-4-13(10-20-17)19-24-18-16(26-19)6-5-15(23-18)14-11-21-22-12-14/h4-7,10-11,21-22H,1-3,8-9,12H2.
What are the key properties of 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine?
5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 364.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 130416448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).