7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C26H31N7 — CID 163291612

IUPAC7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCCc1ccc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2c1
InChIInChI=1S/C26H31N7/c1-2-19-3-4-23-22(5-8-28-25(23)15-19)24-17-30-33-18-21(16-29-26(24)33)31-11-6-20(7-12-31)32-13-9-27-10-14-32/h3-5,8,15-18,20,27H,2,6-7,9-14H2,1H3
InChIKeyAXFJTQARNRNSID-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.38
Rot. Bonds4

About 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 163291612) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID163291612
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC Name7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCCc1ccc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2c1
InChIInChI=1S/C26H31N7/c1-2-19-3-4-23-22(5-8-28-25(23)15-19)24-17-30-33-18-21(16-29-26(24)33)31-11-6-20(7-12-31)32-13-9-27-10-14-32/h3-5,8,15-18,20,27H,2,6-7,9-14H2,1H3
InChIKeyAXFJTQARNRNSID-UHFFFAOYSA-N
XLogP3.38
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline with MolForge

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Related Compounds

7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157486100
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
4-[6-[4-(4,4-dimethylpiperazin-4-ium-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline
CID 158644753
8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464382
7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 160759263
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
CID 142464143
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-6-methyl-5-methylideneazocan-4-ol
CID 142464258
3-(6-methyl-5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 147610205

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 163291612) is 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is CCc1ccc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2c1.
What is the InChIKey of 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is AXFJTQARNRNSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7/c1-2-19-3-4-23-22(5-8-28-25(23)15-19)24-17-30-33-18-21(16-29-26(24)33)31-11-6-20(7-12-31)32-13-9-27-10-14-32/h3-5,8,15-18,20,27H,2,6-7,9-14H2,1H3.
What are the key properties of 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 441.58 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 163291612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).