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

C18H31N5 — CID 126892376

IUPAC2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)N1CCN(C2CN(Cc3cn4c(n3)CCCC4)C2)CC1
InChIInChI=1S/C18H31N5/c1-15(2)21-7-9-22(10-8-21)17-13-20(14-17)11-16-12-23-6-4-3-5-18(23)19-16/h12,15,17H,3-11,13-14H2,1-2H3
InChIKeyDULLKUPWKULTDM-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.43
Rot. Bonds4

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

2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 126892376) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID126892376
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC(C)N1CCN(C2CN(Cc3cn4c(n3)CCCC4)C2)CC1
InChIInChI=1S/C18H31N5/c1-15(2)21-7-9-22(10-8-21)17-13-20(14-17)11-16-12-23-6-4-3-5-18(23)19-16/h12,15,17H,3-11,13-14H2,1-2H3
InChIKeyDULLKUPWKULTDM-UHFFFAOYSA-N
XLogP1.43
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126892066
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126892359
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117153890
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
CID 126892343
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126892374
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanol
CID 67473277
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 58720010
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylhydrazine
CID 146157907
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941342
2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid
CID 106489076

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 126892376) is 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC(C)N1CCN(C2CN(Cc3cn4c(n3)CCCC4)C2)CC1.
What is the InChIKey of 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is DULLKUPWKULTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-15(2)21-7-9-22(10-8-21)17-13-20(14-17)11-16-12-23-6-4-3-5-18(23)19-16/h12,15,17H,3-11,13-14H2,1-2H3.
What are the key properties of 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 317.48 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 126892376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).