2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C17H29N5 — CID 126892066

IUPAC2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCCN1CCN(C2CN(Cc3cn4c(n3)CCCC4)C2)CC1
InChIInChI=1S/C17H29N5/c1-2-19-7-9-21(10-8-19)16-13-20(14-16)11-15-12-22-6-4-3-5-17(22)18-15/h12,16H,2-11,13-14H2,1H3
InChIKeyUSVDUQLIQHMBQO-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.04
Rot. Bonds4

About 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 126892066) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID126892066
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCCN1CCN(C2CN(Cc3cn4c(n3)CCCC4)C2)CC1
InChIInChI=1S/C17H29N5/c1-2-19-7-9-21(10-8-19)16-13-20(14-16)11-15-12-22-6-4-3-5-17(22)18-15/h12,16H,2-11,13-14H2,1H3
InChIKeyUSVDUQLIQHMBQO-UHFFFAOYSA-N
XLogP1.04
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 126892066) is 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CCN1CCN(C2CN(Cc3cn4c(n3)CCCC4)C2)CC1.
What is the InChIKey of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is USVDUQLIQHMBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-2-19-7-9-21(10-8-19)16-13-20(14-16)11-15-12-22-6-4-3-5-17(22)18-15/h12,16H,2-11,13-14H2,1H3.
What are the key properties of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 303.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 126892066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).