cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol

C17H25N3O2 — CID 99826775

IUPACcis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol
SMILESCCO[C@H]1C[C@](O)(CNCc2cnc3ccccn23)C1(C)C
InChIInChI=1S/C17H25N3O2/c1-4-22-14-9-17(21,16(14,2)3)12-18-10-13-11-19-15-7-5-6-8-20(13)15/h5-8,11,14,18,21H,4,9-10,12H2,1-3H3/t14-,17-/m0/s1
InChIKeyQPMFPAXKHMCZNX-YOEHRIQHSA-N
MW303.41 g/mol
LogP1.99
Rot. Bonds6

About cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol

cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol (PubChem CID 99826775) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol
PubChem CID99826775
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol
SMILESCCO[C@H]1C[C@](O)(CNCc2cnc3ccccn23)C1(C)C
InChIInChI=1S/C17H25N3O2/c1-4-22-14-9-17(21,16(14,2)3)12-18-10-13-11-19-15-7-5-6-8-20(13)15/h5-8,11,14,18,21H,4,9-10,12H2,1-3H3/t14-,17-/m0/s1
InChIKeyQPMFPAXKHMCZNX-YOEHRIQHSA-N
XLogP1.99
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 99826718
2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 115587150
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
CID 99834377
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56722616
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 25284684
ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate
CID 90569843
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol (CID 99826775) is cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol is CCO[C@H]1C[C@](O)(CNCc2cnc3ccccn23)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is QPMFPAXKHMCZNX-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-22-14-9-17(21,16(14,2)3)12-18-10-13-11-19-15-7-5-6-8-20(13)15/h5-8,11,14,18,21H,4,9-10,12H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol?
cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 99826775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).