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

C20H24BrIN6O — CID 111185647

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C20H23BrN6O.HI/c1-22-20(23-12-16-14-27-13-15(21)6-7-19(27)24-16)26-10-8-25(9-11-26)17-4-2-3-5-18(17)28;/h2-7,13-14,28H,8-12H2,1H3,(H,22,23);1H
InChIKeyPVZGRNHRMDJZLE-UHFFFAOYSA-N
MW571.26 g/mol
LogP3.32
Rot. Bonds3

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

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111185647) has the molecular formula C20H24BrIN6O and a molecular weight of 571.26 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111185647
Molecular FormulaC20H24BrIN6O
Molecular Weight571.26 g/mol
Exact Mass570.02
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C20H23BrN6O.HI/c1-22-20(23-12-16-14-27-13-15(21)6-7-19(27)24-16)26-10-8-25(9-11-26)17-4-2-3-5-18(17)28;/h2-7,13-14,28H,8-12H2,1H3,(H,22,23);1H
InChIKeyPVZGRNHRMDJZLE-UHFFFAOYSA-N
XLogP3.32
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-methylpyrrolidine-1-carboximidamide
CID 119114616
4-(2-hydroxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185443
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'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426711
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
N-[(4-bromophenyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111977341
4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184883
4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184637
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485979
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130663
4-(2-hydroxyphenyl)-N'-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111184794
4-(2-hydroxyphenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185555

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 111185647) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCN(c2ccccc2O)CC1.I.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is PVZGRNHRMDJZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O.HI/c1-22-20(23-12-16-14-27-13-15(21)6-7-19(27)24-16)26-10-8-25(9-11-26)17-4-2-3-5-18(17)28;/h2-7,13-14,28H,8-12H2,1H3,(H,22,23);1H.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 571.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111185647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).