7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine

C18H22N6O — CID 175782066

IUPAC7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
SMILESCN1CCN(CCOc2ccn3c(-c4ccncn4)cnc3c2)CC1
InChIInChI=1S/C18H22N6O/c1-22-6-8-23(9-7-22)10-11-25-15-3-5-24-17(13-20-18(24)12-15)16-2-4-19-14-21-16/h2-5,12-14H,6-11H2,1H3
InChIKeyOCGKUZGBGQBVSW-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.42
Rot. Bonds5

About 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine

7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine (PubChem CID 175782066) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
PubChem CID175782066
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
SMILESCN1CCN(CCOc2ccn3c(-c4ccncn4)cnc3c2)CC1
InChIInChI=1S/C18H22N6O/c1-22-6-8-23(9-7-22)10-11-25-15-3-5-24-17(13-20-18(24)12-15)16-2-4-19-14-21-16/h2-5,12-14H,6-11H2,1H3
InChIKeyOCGKUZGBGQBVSW-UHFFFAOYSA-N
XLogP1.42
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine (CID 175782066) is 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine is CN1CCN(CCOc2ccn3c(-c4ccncn4)cnc3c2)CC1.
What is the InChIKey of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is OCGKUZGBGQBVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-22-6-8-23(9-7-22)10-11-25-15-3-5-24-17(13-20-18(24)12-15)16-2-4-19-14-21-16/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine?
7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 338.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 175782066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).