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

C21H25BrIN5O — CID 109426711

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C21H24BrN5O.HI/c1-23-21(24-13-17-15-27-14-16(22)7-8-20(27)25-17)26-11-9-19(10-12-26)28-18-5-3-2-4-6-18;/h2-8,14-15,19H,9-13H2,1H3,(H,23,24);1H
InChIKeyRJJPUKDZQIXUJL-UHFFFAOYSA-N
MW570.27 g/mol
LogP4.33
Rot. Bonds4

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

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109426711) has the molecular formula C21H25BrIN5O and a molecular weight of 570.27 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109426711
Molecular FormulaC21H25BrIN5O
Molecular Weight570.27 g/mol
Exact Mass569.03
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C21H24BrN5O.HI/c1-23-21(24-13-17-15-27-14-16(22)7-8-20(27)25-17)26-11-9-19(10-12-26)28-18-5-3-2-4-6-18;/h2-8,14-15,19H,9-13H2,1H3,(H,23,24);1H
InChIKeyRJJPUKDZQIXUJL-UHFFFAOYSA-N
XLogP4.33
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.27
LogP ≤ 54.33
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-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185647
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427485
N'-methyl-4-phenoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427074
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427013
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485979
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109425852
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427355
N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427507
N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427094

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109426711) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RJJPUKDZQIXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O.HI/c1-23-21(24-13-17-15-27-14-16(22)7-8-20(27)25-17)26-11-9-19(10-12-26)28-18-5-3-2-4-6-18;/h2-8,14-15,19H,9-13H2,1H3,(H,23,24);1H.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 570.27 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109426711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).