1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide

C19H28BrIN6 — CID 111919370

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C19H27BrN6.HI/c1-21-19(24-15-8-9-25(12-15)17-4-2-3-5-17)22-10-16-13-26-11-14(20)6-7-18(26)23-16;/h6-7,11,13,15,17H,2-5,8-10,12H2,1H3,(H2,21,22,24);1H
InChIKeyUICRQVGYQXFMQG-UHFFFAOYSA-N
MW547.28 g/mol
LogP3.40
Rot. Bonds4

About 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide (PubChem CID 111919370) has the molecular formula C19H28BrIN6 and a molecular weight of 547.28 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
PubChem CID111919370
Molecular FormulaC19H28BrIN6
Molecular Weight547.28 g/mol
Exact Mass546.06
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C19H27BrN6.HI/c1-21-19(24-15-8-9-25(12-15)17-4-2-3-5-17)22-10-16-13-26-11-14(20)6-7-18(26)23-16;/h6-7,11,13,15,17H,2-5,8-10,12H2,1H3,(H2,21,22,24);1H
InChIKeyUICRQVGYQXFMQG-UHFFFAOYSA-N
XLogP3.40
TPSA56.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.28
LogP ≤ 53.40
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-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119150165
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
1-(1-cyclopropylpyrrolidin-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119150003
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920118
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839
1-[(3-bromo-5-fluorophenyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918819
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119150641
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide (CID 111919370) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCN(C2CCCC2)C1.I.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
The InChIKey is UICRQVGYQXFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN6.HI/c1-21-19(24-15-8-9-25(12-15)17-4-2-3-5-17)22-10-16-13-26-11-14(20)6-7-18(26)23-16;/h6-7,11,13,15,17H,2-5,8-10,12H2,1H3,(H2,21,22,24);1H.
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide has a molecular weight of 547.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111919370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).