8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C20H20N6 — CID 126472620

IUPAC8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(c2ccnc3c(-c4cccc5cccnc45)cnn23)CC1
InChIInChI=1S/C20H20N6/c1-24-10-12-25(13-11-24)18-7-9-22-20-17(14-23-26(18)20)16-6-2-4-15-5-3-8-21-19(15)16/h2-9,14H,10-13H2,1H3
InChIKeyUMTFQAKEJZYXSN-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.70
Rot. Bonds2

About 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 126472620) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID126472620
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(c2ccnc3c(-c4cccc5cccnc45)cnn23)CC1
InChIInChI=1S/C20H20N6/c1-24-10-12-25(13-11-24)18-7-9-22-20-17(14-23-26(18)20)16-6-2-4-15-5-3-8-21-19(15)16/h2-9,14H,10-13H2,1H3
InChIKeyUMTFQAKEJZYXSN-UHFFFAOYSA-N
XLogP2.70
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471580
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
iodocopper;1,10-phenanthroline;bis(tris[(4-methylpiperazin-1-yl)methyl]phosphane)
CID 86573159
8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
CID 50971873
5-chloro-1,2,2,3-tetramethyl-6-quinolin-8-yl-3,4-dihydroquinoline
CID 69464829
8-(9H-fluoren-1-yl)quinoline
CID 151254514
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053
7-quinolin-8-ylimidazo[2,1-a]isoquinoline
CID 58517751
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573

Frequently Asked Questions

What is the IUPAC name of 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 126472620) is 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is CN1CCN(c2ccnc3c(-c4cccc5cccnc45)cnn23)CC1.
What is the InChIKey of 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is UMTFQAKEJZYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-24-10-12-25(13-11-24)18-7-9-22-20-17(14-23-26(18)20)16-6-2-4-15-5-3-8-21-19(15)16/h2-9,14H,10-13H2,1H3.
What are the key properties of 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 344.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 126472620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).