1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

C23H28IN7 — CID 111850667

IUPAC1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1Cn1cccn1)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C23H27N7.HI/c1-2-24-23(25-13-11-21-18-29-14-6-5-10-22(29)28-21)26-16-19-8-3-4-9-20(19)17-30-15-7-12-27-30;/h3-10,12,14-15,18H,2,11,13,16-17H2,1H3,(H2,24,25,26);1H
InChIKeyMPKFWOCSQCLBOM-UHFFFAOYSA-N
MW529.43 g/mol
LogP3.49
Rot. Bonds8

About 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111850667) has the molecular formula C23H28IN7 and a molecular weight of 529.43 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID111850667
Molecular FormulaC23H28IN7
Molecular Weight529.43 g/mol
Exact Mass529.15
IUPAC Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1Cn1cccn1)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C23H27N7.HI/c1-2-24-23(25-13-11-21-18-29-14-6-5-10-22(29)28-21)26-16-19-8-3-4-9-20(19)17-30-15-7-12-27-30;/h3-10,12,14-15,18H,2,11,13,16-17H2,1H3,(H2,24,25,26);1H
InChIKeyMPKFWOCSQCLBOM-UHFFFAOYSA-N
XLogP3.49
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.43
LogP ≤ 53.49
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

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216606
1-ethyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850723
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111850695
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111864832
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705670
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111851443
1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111592394
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111843735
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111394747
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342720

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide (CID 111850667) is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1Cn1cccn1)NCCc1cn2ccccc2n1.I.
What is the InChIKey of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is MPKFWOCSQCLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7.HI/c1-2-24-23(25-13-11-21-18-29-14-6-5-10-22(29)28-21)26-16-19-8-3-4-9-20(19)17-30-15-7-12-27-30;/h3-10,12,14-15,18H,2,11,13,16-17H2,1H3,(H2,24,25,26);1H.
What are the key properties of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 529.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111850667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).