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

C20H21BrFN5 — CID 111639338

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C20H21BrFN5/c1-23-19(24-10-17-12-27-11-15(21)5-6-18(27)26-17)25-13-20(7-8-20)14-3-2-4-16(22)9-14/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,23,24,25)
InChIKeyDEYXRCWKPQXHGY-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.63
Rot. Bonds5

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

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine (PubChem CID 111639338) has the molecular formula C20H21BrFN5 and a molecular weight of 430.33 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
PubChem CID111639338
Molecular FormulaC20H21BrFN5
Molecular Weight430.33 g/mol
Exact Mass429.10
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C20H21BrFN5/c1-23-19(24-10-17-12-27-11-15(21)5-6-18(27)26-17)25-13-20(7-8-20)14-3-2-4-16(22)9-14/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,23,24,25)
InChIKeyDEYXRCWKPQXHGY-UHFFFAOYSA-N
XLogP3.63
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.63
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'}

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Related Compounds

1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111638605
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111638400
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265567
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111639521
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111639665
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 111638794
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
CID 111639048
1-butyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
CID 111638536
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 111639047
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678521

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine (CID 111639338) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine is C/N=C(/NCc1cn2cc(Br)ccc2n1)NCC1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine?
The InChIKey is DEYXRCWKPQXHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN5/c1-23-19(24-10-17-12-27-11-15(21)5-6-18(27)26-17)25-13-20(7-8-20)14-3-2-4-16(22)9-14/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine has a molecular weight of 430.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine is sourced from PubChem (CID 111639338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).