4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol

C25H22N6O — CID 136662815

IUPAC4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
SMILESOc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C25H22N6O/c32-20-5-6-22-21(7-8-27-24(22)13-20)23-15-29-31-16-18(14-28-25(23)31)17-1-3-19(4-2-17)30-11-9-26-10-12-30/h1-8,13-16,26,32H,9-12H2
InChIKeyBLKUTJODYRMUJL-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.73
Rot. Bonds3

About 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol

4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol (PubChem CID 136662815) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
PubChem CID136662815
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
SMILESOc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C25H22N6O/c32-20-5-6-22-21(7-8-27-24(22)13-20)23-15-29-31-16-18(14-28-25(23)31)17-1-3-19(4-2-17)30-11-9-26-10-12-30/h1-8,13-16,26,32H,9-12H2
InChIKeyBLKUTJODYRMUJL-UHFFFAOYSA-N
XLogP3.73
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
The IUPAC name of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol (CID 136662815) is 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol.
What is the SMILES notation for 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
The canonical SMILES for 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol is Oc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
The InChIKey is BLKUTJODYRMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c32-20-5-6-22-21(7-8-27-24(22)13-20)23-15-29-31-16-18(14-28-25(23)31)17-1-3-19(4-2-17)30-11-9-26-10-12-30/h1-8,13-16,26,32H,9-12H2.
What are the key properties of 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol?
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol has a molecular weight of 422.49 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136662815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).