1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

C17H24F3IN6 — CID 111914533

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1cn2ccccc2n1)NC1CCN(CC(F)(F)F)C1.I
InChIInChI=1S/C17H23F3N6.HI/c1-21-16(24-14-6-9-25(10-14)12-17(18,19)20)22-7-5-13-11-26-8-3-2-4-15(26)23-13;/h2-4,8,11,14H,5-7,9-10,12H2,1H3,(H2,21,22,24);1H
InChIKeyMFJHPDCALBZCBI-UHFFFAOYSA-N
MW496.32 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (PubChem CID 111914533) has the molecular formula C17H24F3IN6 and a molecular weight of 496.32 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
PubChem CID111914533
Molecular FormulaC17H24F3IN6
Molecular Weight496.32 g/mol
Exact Mass496.11
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1cn2ccccc2n1)NC1CCN(CC(F)(F)F)C1.I
InChIInChI=1S/C17H23F3N6.HI/c1-21-16(24-14-6-9-25(10-14)12-17(18,19)20)22-7-5-13-11-26-8-3-2-4-15(26)23-13;/h2-4,8,11,14H,5-7,9-10,12H2,1H3,(H2,21,22,24);1H
InChIKeyMFJHPDCALBZCBI-UHFFFAOYSA-N
XLogP2.30
TPSA56.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
2-methyl-1-(2-pyridin-3-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915192
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914192
1-(1-cyclopropylpyrrolidin-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119150003
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914971
2-methyl-1-(pyridin-2-ylmethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110968547
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111196874
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914972
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
2-methyl-1-[3-(N-methylanilino)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915333
1-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914845

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (CID 111914533) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is C/N=C(\NCCc1cn2ccccc2n1)NC1CCN(CC(F)(F)F)C1.I.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The InChIKey is MFJHPDCALBZCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6.HI/c1-21-16(24-14-6-9-25(10-14)12-17(18,19)20)22-7-5-13-11-26-8-3-2-4-15(26)23-13;/h2-4,8,11,14H,5-7,9-10,12H2,1H3,(H2,21,22,24);1H.
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide has a molecular weight of 496.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is sourced from PubChem (CID 111914533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).