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

C26H22FN5 — CID 118894250

IUPAC4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESFc1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)ccc1N1CCCCC1
InChIInChI=1S/C26H22FN5/c27-23-14-18(8-9-25(23)31-12-4-1-5-13-31)19-15-29-26-22(16-30-32(26)17-19)20-10-11-28-24-7-3-2-6-21(20)24/h2-3,6-11,14-17H,1,4-5,12-13H2
InChIKeyWGFFRWAFAJHJEP-UHFFFAOYSA-N
MW423.50 g/mol
LogP5.74
Rot. Bonds3

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

4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 118894250) has the molecular formula C26H22FN5 and a molecular weight of 423.50 g/mol. Its IUPAC name is 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID118894250
Molecular FormulaC26H22FN5
Molecular Weight423.50 g/mol
Exact Mass423.19
IUPAC Name4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESFc1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)ccc1N1CCCCC1
InChIInChI=1S/C26H22FN5/c27-23-14-18(8-9-25(23)31-12-4-1-5-13-31)19-15-29-26-22(16-30-32(26)17-19)20-10-11-28-24-7-3-2-6-21(20)24/h2-3,6-11,14-17H,1,4-5,12-13H2
InChIKeyWGFFRWAFAJHJEP-UHFFFAOYSA-N
XLogP5.74
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 118894250) is 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is Fc1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)ccc1N1CCCCC1.
What is the InChIKey of 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is WGFFRWAFAJHJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5/c27-23-14-18(8-9-25(23)31-12-4-1-5-13-31)19-15-29-26-22(16-30-32(26)17-19)20-10-11-28-24-7-3-2-6-21(20)24/h2-3,6-11,14-17H,1,4-5,12-13H2.
What are the key properties of 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 423.50 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluoro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 118894250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).