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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Related Compounds

4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464241
4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 58170113
7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 163291612
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
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-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894215
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
7-ethenyliodanuidyl-4-[6-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 163291613
ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
CID 144728106
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
CID 158576099

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).