4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C28H27N5O — CID 44577770

IUPAC4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESc1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C28H27N5O/c1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27/h2-3,6-13,18-20H,1,4-5,14-17H2
InChIKeyPFKQASDUKAZLNG-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.48
Rot. Bonds6

About 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 44577770) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID44577770
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESc1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C28H27N5O/c1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27/h2-3,6-13,18-20H,1,4-5,14-17H2
InChIKeyPFKQASDUKAZLNG-UHFFFAOYSA-N
XLogP5.48
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894215
4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170121
2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
CID 59495027
2,2,2-trifluoro-1-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanamine
CID 118664716
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 161049684
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 59495030
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1,1,1-trifluoro-3-methylbutan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 157036593
4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine
CID 118894264
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170113
S-[4-[6-[4-(1,1-difluoro-2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]thiohydroxylamine
CID 167065155

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 44577770) is 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is PFKQASDUKAZLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27/h2-3,6-13,18-20H,1,4-5,14-17H2.
What are the key properties of 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 449.56 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 44577770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).