N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide

C19H27IN6O2 — CID 119131807

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2ccccc2n1)N1CCN(C(=O)C2CCCO2)CC1.I
InChIInChI=1S/C19H26N6O2.HI/c1-20-19(21-13-15-14-25-7-3-2-6-17(25)22-15)24-10-8-23(9-11-24)18(26)16-5-4-12-27-16;/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,20,21);1H
InChIKeyZOAVHSAAMWEUOI-UHFFFAOYSA-N
MW498.37 g/mol
LogP1.35
Rot. Bonds3

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119131807) has the molecular formula C19H27IN6O2 and a molecular weight of 498.37 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119131807
Molecular FormulaC19H27IN6O2
Molecular Weight498.37 g/mol
Exact Mass498.12
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2ccccc2n1)N1CCN(C(=O)C2CCCO2)CC1.I
InChIInChI=1S/C19H26N6O2.HI/c1-20-19(21-13-15-14-25-7-3-2-6-17(25)22-15)24-10-8-23(9-11-24)18(26)16-5-4-12-27-16;/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,20,21);1H
InChIKeyZOAVHSAAMWEUOI-UHFFFAOYSA-N
XLogP1.35
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
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-[(2-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302794
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
CID 119142839
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130663
N-(furan-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300836
N'-methyl-4-(oxolane-2-carbonyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111302953
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302030
N-[(4-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300430
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111514832
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301611
N'-methyl-4-(oxolane-2-carbonyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111302312
N-methyl-4-[[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111300266
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131911

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide (CID 119131807) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cn2ccccc2n1)N1CCN(C(=O)C2CCCO2)CC1.I.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZOAVHSAAMWEUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.HI/c1-20-19(21-13-15-14-25-7-3-2-6-17(25)22-15)24-10-8-23(9-11-24)18(26)16-5-4-12-27-16;/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,20,21);1H.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 498.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).