5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane

C28H31N7 — CID 144728094

IUPAC5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane
SMILESCC.CC1CNCC(C)N1c1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cn1
InChIInChI=1S/C26H25N7.C2H6/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24;1-2/h3-10,13-18,27H,11-12H2,1-2H3;1-2H3
InChIKeyKWVALWDEBCSUAR-UHFFFAOYSA-N
MW465.61 g/mol
LogP5.22
Rot. Bonds3

About 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane

5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane (PubChem CID 144728094) has the molecular formula C28H31N7 and a molecular weight of 465.61 g/mol. Its IUPAC name is 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane.

Molecular Properties

Compound Name5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane
PubChem CID144728094
Molecular FormulaC28H31N7
Molecular Weight465.61 g/mol
Exact Mass465.26
IUPAC Name5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane
SMILESCC.CC1CNCC(C)N1c1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cn1
InChIInChI=1S/C26H25N7.C2H6/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24;1-2/h3-10,13-18,27H,11-12H2,1-2H3;1-2H3
InChIKeyKWVALWDEBCSUAR-UHFFFAOYSA-N
XLogP5.22
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane?
The IUPAC name of 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane (CID 144728094) is 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane.
What is the SMILES notation for 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane?
The canonical SMILES for 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane is CC.CC1CNCC(C)N1c1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cn1.
What is the InChIKey of 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane?
The InChIKey is KWVALWDEBCSUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7.C2H6/c1-17-11-27-12-18(2)33(17)25-9-8-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-5-3-7-24-22(21)6-4-10-28-24;1-2/h3-10,13-18,27H,11-12H2,1-2H3;1-2H3.
What are the key properties of 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane?
5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane has a molecular weight of 465.61 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane is sourced from PubChem (CID 144728094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).