2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide

C14H17BrIN5 — CID 111849418

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N/Cc1cn2cc(Br)ccc2n1)NCC.I
InChIInChI=1S/C14H16BrN5.HI/c1-3-7-17-14(16-4-2)18-8-12-10-20-9-11(15)5-6-13(20)19-12;/h1,5-6,9-10H,4,7-8H2,2H3,(H2,16,17,18);1H
InChIKeyTZXPGKCACHFHDZ-UHFFFAOYSA-N
MW462.13 g/mol
LogP2.40
Rot. Bonds4

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 111849418) has the molecular formula C14H17BrIN5 and a molecular weight of 462.13 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
PubChem CID111849418
Molecular FormulaC14H17BrIN5
Molecular Weight462.13 g/mol
Exact Mass460.97
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N/Cc1cn2cc(Br)ccc2n1)NCC.I
InChIInChI=1S/C14H16BrN5.HI/c1-3-7-17-14(16-4-2)18-8-12-10-20-9-11(15)5-6-13(20)19-12;/h1,5-6,9-10H,4,7-8H2,2H3,(H2,16,17,18);1H
InChIKeyTZXPGKCACHFHDZ-UHFFFAOYSA-N
XLogP2.40
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.13
LogP ≤ 52.40
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983079
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607815
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111223669
3-[[N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111941492
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-butoxypropyl)-3-ethylguanidine
CID 111239913
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530751
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109478031
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111140181
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111075326
N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111143706
N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735642
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-prop-2-ynylguanidine
CID 111591703

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide (CID 111849418) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N/Cc1cn2cc(Br)ccc2n1)NCC.I.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is TZXPGKCACHFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5.HI/c1-3-7-17-14(16-4-2)18-8-12-10-20-9-11(15)5-6-13(20)19-12;/h1,5-6,9-10H,4,7-8H2,2H3,(H2,16,17,18);1H.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 462.13 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 111849418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).