N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C20H30IN5 — CID 111745047

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1cn2ccccc2n1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C20H29N5.HI/c1-21-19(25-14-11-20(16-25)9-4-2-5-10-20)22-12-8-17-15-24-13-6-3-7-18(24)23-17;/h3,6-7,13,15H,2,4-5,8-12,14,16H2,1H3,(H,21,22);1H
InChIKeyFWPQDBWUDDLFJB-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.73
Rot. Bonds3

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 111745047) has the molecular formula C20H30IN5 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID111745047
Molecular FormulaC20H30IN5
Molecular Weight467.40 g/mol
Exact Mass467.15
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1cn2ccccc2n1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C20H29N5.HI/c1-21-19(25-14-11-20(16-25)9-4-2-5-10-20)22-12-8-17-15-24-13-6-3-7-18(24)23-17;/h3,6-7,13,15H,2,4-5,8-12,14,16H2,1H3,(H,21,22);1H
InChIKeyFWPQDBWUDDLFJB-UHFFFAOYSA-N
XLogP3.73
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184637
4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide
CID 111148387
4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166652
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733022
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
N'-methyl-N-(pyridin-2-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744951
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733248
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
N'-methyl-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744761
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 109406181

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 111745047) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is C/N=C(\NCCc1cn2ccccc2n1)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is FWPQDBWUDDLFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5.HI/c1-21-19(25-14-11-20(16-25)9-4-2-5-10-20)22-12-8-17-15-24-13-6-3-7-18(24)23-17;/h3,6-7,13,15H,2,4-5,8-12,14,16H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 467.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111745047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).