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

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

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Related Compounds

2-deuterio-4-[6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;2-deuterio-4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157064584
4-[6-[6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894238
4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44577770
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170121
CID 140797496
CID 140797496
4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170113
[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
CID 118894226
5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane
CID 144728094
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 159614326

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).