4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

C20H25IN6O2 — CID 111166652

IUPAC4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C20H24N6O2.HI/c1-21-20(22-8-7-16-15-26-9-3-2-6-18(26)23-16)25-12-10-24(11-13-25)19(27)17-5-4-14-28-17;/h2-6,9,14-15H,7-8,10-13H2,1H3,(H,21,22);1H
InChIKeyIVLNXBLHCGAQJU-UHFFFAOYSA-N
MW508.36 g/mol
LogP2.12
Rot. Bonds4

About 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111166652) has the molecular formula C20H25IN6O2 and a molecular weight of 508.36 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111166652
Molecular FormulaC20H25IN6O2
Molecular Weight508.36 g/mol
Exact Mass508.11
IUPAC Name4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C20H24N6O2.HI/c1-21-20(22-8-7-16-15-26-9-3-2-6-18(26)23-16)25-12-10-24(11-13-25)19(27)17-5-4-14-28-17;/h2-6,9,14-15H,7-8,10-13H2,1H3,(H,21,22);1H
InChIKeyIVLNXBLHCGAQJU-UHFFFAOYSA-N
XLogP2.12
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.36
LogP ≤ 52.12
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

(3R)-1-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29330277
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]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide
CID 111148387
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-(furan-2-carbonyl)-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111167439
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166410
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745047
4-(furan-2-carbonyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109401344

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 111166652) is 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCCc1cn2ccccc2n1)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is IVLNXBLHCGAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.HI/c1-21-20(22-8-7-16-15-26-9-3-2-6-18(26)23-16)25-12-10-24(11-13-25)19(27)17-5-4-14-28-17;/h2-6,9,14-15H,7-8,10-13H2,1H3,(H,21,22);1H.
What are the key properties of 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 508.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111166652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).