[2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate

C26H21Br2FN4O3 — CID 174369214

IUPAC[2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate
SMILESCCc1nc2c(C)c(Br)c(C)nc2n1Cc1ccc2c(-c3cccc(F)c3OC(N)=O)oc(Br)c2c1
InChIInChI=1S/C26H21Br2FN4O3/c1-4-19-32-21-12(2)20(27)13(3)31-25(21)33(19)11-14-8-9-15-17(10-14)24(28)35-22(15)16-6-5-7-18(29)23(16)36-26(30)34/h5-10H,4,11H2,1-3H3,(H2,30,34)
InChIKeyGJUQMQCJMUCMAW-UHFFFAOYSA-N
MW616.29 g/mol
LogP7.19
Rot. Bonds5

About [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate

[2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate (PubChem CID 174369214) has the molecular formula C26H21Br2FN4O3 and a molecular weight of 616.29 g/mol. Its IUPAC name is [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate.

Molecular Properties

Compound Name[2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate
PubChem CID174369214
Molecular FormulaC26H21Br2FN4O3
Molecular Weight616.29 g/mol
Exact Mass614.00
IUPAC Name[2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate
SMILESCCc1nc2c(C)c(Br)c(C)nc2n1Cc1ccc2c(-c3cccc(F)c3OC(N)=O)oc(Br)c2c1
InChIInChI=1S/C26H21Br2FN4O3/c1-4-19-32-21-12(2)20(27)13(3)31-25(21)33(19)11-14-8-9-15-17(10-14)24(28)35-22(15)16-6-5-7-18(29)23(16)36-26(30)34/h5-10H,4,11H2,1-3H3,(H2,30,34)
InChIKeyGJUQMQCJMUCMAW-UHFFFAOYSA-N
XLogP7.19
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.29
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate?
The IUPAC name of [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate (CID 174369214) is [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate.
What is the SMILES notation for [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate?
The canonical SMILES for [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate is CCc1nc2c(C)c(Br)c(C)nc2n1Cc1ccc2c(-c3cccc(F)c3OC(N)=O)oc(Br)c2c1.
What is the InChIKey of [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate?
The InChIKey is GJUQMQCJMUCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Br2FN4O3/c1-4-19-32-21-12(2)20(27)13(3)31-25(21)33(19)11-14-8-9-15-17(10-14)24(28)35-22(15)16-6-5-7-18(29)23(16)36-26(30)34/h5-10H,4,11H2,1-3H3,(H2,30,34).
What are the key properties of [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate?
[2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate has a molecular weight of 616.29 g/mol, XLogP of 7.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-bromo-5-[(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-benzofuran-1-yl]-6-fluorophenyl] carbamate is sourced from PubChem (CID 174369214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).