2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C28H28BrN5O — CID 129216300

IUPAC2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCN(C(=O)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1)c1ccccc1
InChIInChI=1S/C28H28BrN5O/c1-31(24-7-3-2-4-8-24)28(35)33-17-21-15-32(16-22(21)18-33)19-25-27(20-10-12-23(29)13-11-20)30-26-9-5-6-14-34(25)26/h2-14,21-22H,15-19H2,1H3
InChIKeyJXLXOALXPBJOJB-UHFFFAOYSA-N
MW530.47 g/mol
LogP5.38
Rot. Bonds4

About 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 129216300) has the molecular formula C28H28BrN5O and a molecular weight of 530.47 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID129216300
Molecular FormulaC28H28BrN5O
Molecular Weight530.47 g/mol
Exact Mass529.15
IUPAC Name2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCN(C(=O)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1)c1ccccc1
InChIInChI=1S/C28H28BrN5O/c1-31(24-7-3-2-4-8-24)28(35)33-17-21-15-32(16-22(21)18-33)19-25-27(20-10-12-23(29)13-11-20)30-26-9-5-6-14-34(25)26/h2-14,21-22H,15-19H2,1H3
InChIKeyJXLXOALXPBJOJB-UHFFFAOYSA-N
XLogP5.38
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 129216300) is 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CN(C(=O)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1)c1ccccc1.
What is the InChIKey of 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is JXLXOALXPBJOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrN5O/c1-31(24-7-3-2-4-8-24)28(35)33-17-21-15-32(16-22(21)18-33)19-25-27(20-10-12-23(29)13-11-20)30-26-9-5-6-14-34(25)26/h2-14,21-22H,15-19H2,1H3.
What are the key properties of 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 530.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 129216300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).