N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C14H19ClIN5O — CID 120661163

IUPACN'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2cn3cc(Cl)ccc3n2)CCO1.I
InChIInChI=1S/C14H18ClN5O.HI/c1-10-7-19(4-5-21-10)14(16)17-6-12-9-20-8-11(15)2-3-13(20)18-12;/h2-3,8-10H,4-7H2,1H3,(H2,16,17);1H
InChIKeyQGTQAICFOAIDBF-UHFFFAOYSA-N
MW435.70 g/mol
LogP2.14
Rot. Bonds2

About N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661163) has the molecular formula C14H19ClIN5O and a molecular weight of 435.70 g/mol. Its IUPAC name is N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661163
Molecular FormulaC14H19ClIN5O
Molecular Weight435.70 g/mol
Exact Mass435.03
IUPAC NameN'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2cn3cc(Cl)ccc3n2)CCO1.I
InChIInChI=1S/C14H18ClN5O.HI/c1-10-7-19(4-5-21-10)14(16)17-6-12-9-20-8-11(15)2-3-13(20)18-12;/h2-3,8-10H,4-7H2,1H3,(H2,16,17);1H
InChIKeyQGTQAICFOAIDBF-UHFFFAOYSA-N
XLogP2.14
TPSA68.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 119118072
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine
CID 56810616
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
CID 120661286
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661129
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
CID 120662048
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662146
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661163) is N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/Cc2cn3cc(Cl)ccc3n2)CCO1.I.
What is the InChIKey of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is QGTQAICFOAIDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O.HI/c1-10-7-19(4-5-21-10)14(16)17-6-12-9-20-8-11(15)2-3-13(20)18-12;/h2-3,8-10H,4-7H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 435.70 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).