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

C27H24BrF2N5O — CID 137364432

IUPAC2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C27H24BrF2N5O/c28-20-6-4-17(5-7-20)26-24(35-10-2-1-3-25(35)32-26)16-33-12-18-14-34(15-19(18)13-33)27(36)31-23-9-8-21(29)11-22(23)30/h1-11,18-19H,12-16H2,(H,31,36)
InChIKeyDCONPJJUZWZFDC-UHFFFAOYSA-N
MW552.42 g/mol
LogP5.64
Rot. Bonds4

About 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 137364432) has the molecular formula C27H24BrF2N5O and a molecular weight of 552.42 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID137364432
Molecular FormulaC27H24BrF2N5O
Molecular Weight552.42 g/mol
Exact Mass551.11
IUPAC Name2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C27H24BrF2N5O/c28-20-6-4-17(5-7-20)26-24(35-10-2-1-3-25(35)32-26)16-33-12-18-14-34(15-19(18)13-33)27(36)31-23-9-8-21(29)11-22(23)30/h1-11,18-19H,12-16H2,(H,31,36)
InChIKeyDCONPJJUZWZFDC-UHFFFAOYSA-N
XLogP5.64
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 137364432) is 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is O=C(Nc1ccc(F)cc1F)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1.
What is the InChIKey of 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is DCONPJJUZWZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrF2N5O/c28-20-6-4-17(5-7-20)26-24(35-10-2-1-3-25(35)32-26)16-33-12-18-14-34(15-19(18)13-33)27(36)31-23-9-8-21(29)11-22(23)30/h1-11,18-19H,12-16H2,(H,31,36).
What are the key properties of 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 552.42 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 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-(2,4-difluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 137364432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).