4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C25H22N6 — CID 118894215

IUPAC4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)nc5)cnc34)ccnc2c1
InChIInChI=1S/C25H22N6/c1-4-12-30(13-5-1)24-9-8-18(14-27-24)19-15-28-25-22(16-29-31(25)17-19)20-10-11-26-23-7-3-2-6-21(20)23/h2-3,6-11,14-17H,1,4-5,12-13H2
InChIKeyWXMCZXKKOOMTHT-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.00
Rot. Bonds3

About 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 118894215) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID118894215
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)nc5)cnc34)ccnc2c1
InChIInChI=1S/C25H22N6/c1-4-12-30(13-5-1)24-9-8-18(14-27-24)19-15-28-25-22(16-29-31(25)17-19)20-10-11-26-23-7-3-2-6-21(20)23/h2-3,6-11,14-17H,1,4-5,12-13H2
InChIKeyWXMCZXKKOOMTHT-UHFFFAOYSA-N
XLogP5.00
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 118894215) is 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is c1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)nc5)cnc34)ccnc2c1.
What is the InChIKey of 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is WXMCZXKKOOMTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-4-12-30(13-5-1)24-9-8-18(14-27-24)19-15-28-25-22(16-29-31(25)17-19)20-10-11-26-23-7-3-2-6-21(20)23/h2-3,6-11,14-17H,1,4-5,12-13H2.
What are the key properties of 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 406.49 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 118894215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).