5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide

C27H31BrClN3O3SSi — CID 67436700

IUPAC5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(Br)cn23)sc1C(N)=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C27H31BrClN3O3SSi/c1-16(19-9-7-17(11-20(19)29)15-34-37(5,6)27(2,3)4)35-22-12-23(36-25(22)26(30)33)21-13-31-24-10-8-18(28)14-32(21)24/h7-14,16H,15H2,1-6H3,(H2,30,33)/t16-/m1/s1
InChIKeyCEZXAKZLXONTOD-MRXNPFEDSA-N
MW621.07 g/mol
LogP8.24
Rot. Bonds8

About 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide

5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 67436700) has the molecular formula C27H31BrClN3O3SSi and a molecular weight of 621.07 g/mol. Its IUPAC name is 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide
PubChem CID67436700
Molecular FormulaC27H31BrClN3O3SSi
Molecular Weight621.07 g/mol
Exact Mass619.07
IUPAC Name5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-c2cnc3ccc(Br)cn23)sc1C(N)=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1Cl
InChIInChI=1S/C27H31BrClN3O3SSi/c1-16(19-9-7-17(11-20(19)29)15-34-37(5,6)27(2,3)4)35-22-12-23(36-25(22)26(30)33)21-13-31-24-10-8-18(28)14-32(21)24/h7-14,16H,15H2,1-6H3,(H2,30,33)/t16-/m1/s1
InChIKeyCEZXAKZLXONTOD-MRXNPFEDSA-N
XLogP8.24
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.07
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide (CID 67436700) is 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide is C[C@@H](Oc1cc(-c2cnc3ccc(Br)cn23)sc1C(N)=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1Cl.
What is the InChIKey of 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is CEZXAKZLXONTOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H31BrClN3O3SSi/c1-16(19-9-7-17(11-20(19)29)15-34-37(5,6)27(2,3)4)35-22-12-23(36-25(22)26(30)33)21-13-31-24-10-8-18(28)14-32(21)24/h7-14,16H,15H2,1-6H3,(H2,30,33)/t16-/m1/s1.
What are the key properties of 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide?
5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 621.07 g/mol, XLogP of 8.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-3-[(1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chlorophenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67436700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).