4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

C19H18N6 — CID 142464396

IUPAC4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESc1ccc2c(-c3cnn4cc(N5CCNCC5)cnc34)ccnc2c1
InChIInChI=1S/C19H18N6/c1-2-4-18-16(3-1)15(5-6-21-18)17-12-23-25-13-14(11-22-19(17)25)24-9-7-20-8-10-24/h1-6,11-13,20H,7-10H2
InChIKeyPFGRSJHEGMXDOG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.35
Rot. Bonds2

About 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (PubChem CID 142464396) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.

Molecular Properties

Compound Name4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
PubChem CID142464396
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESc1ccc2c(-c3cnn4cc(N5CCNCC5)cnc34)ccnc2c1
InChIInChI=1S/C19H18N6/c1-2-4-18-16(3-1)15(5-6-21-18)17-12-23-25-13-14(11-22-19(17)25)24-9-7-20-8-10-24/h1-6,11-13,20H,7-10H2
InChIKeyPFGRSJHEGMXDOG-UHFFFAOYSA-N
XLogP2.35
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The IUPAC name of 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (CID 142464396) is 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.
What is the SMILES notation for 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The canonical SMILES for 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is c1ccc2c(-c3cnn4cc(N5CCNCC5)cnc34)ccnc2c1.
What is the InChIKey of 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The InChIKey is PFGRSJHEGMXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-4-18-16(3-1)15(5-6-21-18)17-12-23-25-13-14(11-22-19(17)25)24-9-7-20-8-10-24/h1-6,11-13,20H,7-10H2.
What are the key properties of 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline has a molecular weight of 330.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is sourced from PubChem (CID 142464396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).