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

C28H31N7 — CID 144728094

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 Name: 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane
• PubChem CID: 144728094
• Molecular Formula: C28H31N7
• Molecular Weight: 465.61 g/mol
• Exact Mass: 465.26
• IUPAC Name: 5-[6-[6-(2,6-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;ethane
• SMILES: CC.CC1CNCC(C)N1c1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cn1
• InChI: 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
• InChIKey: KWVALWDEBCSUAR-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 71.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.61
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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).