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

C17H23BrN6 — CID 119150165

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCN(C2CC2)C1
InChIInChI=1S/C17H23BrN6/c1-19-17(22-13-6-7-23(10-13)15-3-4-15)20-8-14-11-24-9-12(18)2-5-16(24)21-14/h2,5,9,11,13,15H,3-4,6-8,10H2,1H3,(H2,19,20,22)
InChIKeyWNRAVQVBJIGZRZ-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.00
Rot. Bonds4

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

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine (PubChem CID 119150165) has the molecular formula C17H23BrN6 and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
PubChem CID119150165
Molecular FormulaC17H23BrN6
Molecular Weight391.32 g/mol
Exact Mass390.12
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCN(C2CC2)C1
InChIInChI=1S/C17H23BrN6/c1-19-17(22-13-6-7-23(10-13)15-3-4-15)20-8-14-11-24-9-12(18)2-5-16(24)21-14/h2,5,9,11,13,15H,3-4,6-8,10H2,1H3,(H2,19,20,22)
InChIKeyWNRAVQVBJIGZRZ-UHFFFAOYSA-N
XLogP2.00
TPSA56.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.00
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'}

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Related Compounds

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111919370
1-(1-cyclopropylpyrrolidin-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119150003
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150222
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111075368
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920118
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939954
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265567
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485979
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine (CID 119150165) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine is C/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
The InChIKey is WNRAVQVBJIGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6/c1-19-17(22-13-6-7-23(10-13)15-3-4-15)20-8-14-11-24-9-12(18)2-5-16(24)21-14/h2,5,9,11,13,15H,3-4,6-8,10H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine has a molecular weight of 391.32 g/mol, XLogP of 2.00, 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-cyclopropylpyrrolidin-3-yl)-2-methylguanidine is sourced from PubChem (CID 119150165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).