methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate

C17H15BrFN3O6S2 — CID 69191504

IUPACmethyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nc2cc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)cn12
InChIInChI=1S/C17H15BrFN3O6S2/c1-28-17(23)16-15(10-4-6-11(19)7-5-10)20-14-8-13(12(18)9-21(14)16)22(29(2,24)25)30(3,26)27/h4-9H,1-3H3
InChIKeyARRUYVZFEBFIQS-UHFFFAOYSA-N
MW520.36 g/mol
LogP2.42
Rot. Bonds5

About methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate

methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 69191504) has the molecular formula C17H15BrFN3O6S2 and a molecular weight of 520.36 g/mol. Its IUPAC name is methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID69191504
Molecular FormulaC17H15BrFN3O6S2
Molecular Weight520.36 g/mol
Exact Mass518.96
IUPAC Namemethyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nc2cc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)cn12
InChIInChI=1S/C17H15BrFN3O6S2/c1-28-17(23)16-15(10-4-6-11(19)7-5-10)20-14-8-13(12(18)9-21(14)16)22(29(2,24)25)30(3,26)27/h4-9H,1-3H3
InChIKeyARRUYVZFEBFIQS-UHFFFAOYSA-N
XLogP2.42
TPSA115.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-bromo-2-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate
CID 69191503
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 11807750
methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 165123998
methyl 4-(4-fluorophenyl)-2-methylsulfonyl-6-propan-2-ylpyrimidine-5-carboxylate
CID 24865513
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-5-carboxylate
CID 117133201
2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82060679
6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056530
methyl 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 158034834
methyl 3-bromo-5-(4-fluorophenyl)benzoate
CID 69068418
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
N-(2-bromo-4-methylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118544

Frequently Asked Questions

What is the IUPAC name of methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 69191504) is methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)nc2cc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)cn12.
What is the InChIKey of methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ARRUYVZFEBFIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O6S2/c1-28-17(23)16-15(10-4-6-11(19)7-5-10)20-14-8-13(12(18)9-21(14)16)22(29(2,24)25)30(3,26)27/h4-9H,1-3H3.
What are the key properties of methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate?
methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 520.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[bis(methylsulfonyl)amino]-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 69191504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).