methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate

C46H41BrN6O4 — CID 160780925

IUPACmethyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCn1c(-c2nc3cc(C(=O)OC)ccn3c2C)c(-c2ccccc2)c2ccccc21.CCn1c(-c2nc3cc(C(=O)OC)ccn3c2C)c(Br)c2ccccc21
InChIInChI=1S/C26H23N3O2.C20H18BrN3O2/c1-4-28-21-13-9-8-12-20(21)23(18-10-6-5-7-11-18)25(28)24-17(2)29-15-14-19(26(30)31-3)16-22(29)27-24;1-4-23-15-8-6-5-7-14(15)17(21)19(23)18-12(2)24-10-9-13(20(25)26-3)11-16(24)22-18/h5-16H,4H2,1-3H3;5-11H,4H2,1-3H3
InChIKeySAOGPDKRFHOTFH-UHFFFAOYSA-N
MW821.78 g/mol
LogP10.57
Rot. Bonds7

About methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate

methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 160780925) has the molecular formula C46H41BrN6O4 and a molecular weight of 821.78 g/mol. Its IUPAC name is methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID160780925
Molecular FormulaC46H41BrN6O4
Molecular Weight821.78 g/mol
Exact Mass820.24
IUPAC Namemethyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCn1c(-c2nc3cc(C(=O)OC)ccn3c2C)c(-c2ccccc2)c2ccccc21.CCn1c(-c2nc3cc(C(=O)OC)ccn3c2C)c(Br)c2ccccc21
InChIInChI=1S/C26H23N3O2.C20H18BrN3O2/c1-4-28-21-13-9-8-12-20(21)23(18-10-6-5-7-11-18)25(28)24-17(2)29-15-14-19(26(30)31-3)16-22(29)27-24;1-4-23-15-8-6-5-7-14(15)17(21)19(23)18-12(2)24-10-9-13(20(25)26-3)11-16(24)22-18/h5-16H,4H2,1-3H3;5-11H,4H2,1-3H3
InChIKeySAOGPDKRFHOTFH-UHFFFAOYSA-N
XLogP10.57
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.78
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate (CID 160780925) is methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate is CCn1c(-c2nc3cc(C(=O)OC)ccn3c2C)c(-c2ccccc2)c2ccccc21.CCn1c(-c2nc3cc(C(=O)OC)ccn3c2C)c(Br)c2ccccc21.
What is the InChIKey of methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is SAOGPDKRFHOTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.C20H18BrN3O2/c1-4-28-21-13-9-8-12-20(21)23(18-10-6-5-7-11-18)25(28)24-17(2)29-15-14-19(26(30)31-3)16-22(29)27-24;1-4-23-15-8-6-5-7-14(15)17(21)19(23)18-12(2)24-10-9-13(20(25)26-3)11-16(24)22-18/h5-16H,4H2,1-3H3;5-11H,4H2,1-3H3.
What are the key properties of methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 821.78 g/mol, XLogP of 10.57, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-1-ethylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 160780925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).