1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

C17H22ClN3O2 — CID 39148341

IUPAC1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
SMILESCC(C)c1nc2ccc(Cl)cn2c1C[NH+]1CCC(C(=O)[O-])CC1
InChIInChI=1S/C17H22ClN3O2/c1-11(2)16-14(21-9-13(18)3-4-15(21)19-16)10-20-7-5-12(6-8-20)17(22)23/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,22,23)
InChIKeySNYUZUWRPNAHCW-UHFFFAOYSA-N
MW335.84 g/mol
LogP0.66
Rot. Bonds4

About 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (PubChem CID 39148341) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
PubChem CID39148341
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
SMILESCC(C)c1nc2ccc(Cl)cn2c1C[NH+]1CCC(C(=O)[O-])CC1
InChIInChI=1S/C17H22ClN3O2/c1-11(2)16-14(21-9-13(18)3-4-15(21)19-16)10-20-7-5-12(6-8-20)17(22)23/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,22,23)
InChIKeySNYUZUWRPNAHCW-UHFFFAOYSA-N
XLogP0.66
TPSA61.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate with MolForge

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Related Compounds

1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39146514
1-[(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 40638712
1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016683
1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39146524
2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134126
1-[[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016696
6-chloro-N-cyclohexyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808986
1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxylate
CID 7081646
1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39146550
2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030268
6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56879033
2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82030285

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (CID 39148341) is 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is CC(C)c1nc2ccc(Cl)cn2c1C[NH+]1CCC(C(=O)[O-])CC1.
What is the InChIKey of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The InChIKey is SNYUZUWRPNAHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(2)16-14(21-9-13(18)3-4-15(21)19-16)10-20-7-5-12(6-8-20)17(22)23/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,22,23).
What are the key properties of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate has a molecular weight of 335.84 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 39148341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).