[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone

C25H27BrN4O — CID 139491964

IUPAC[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C25H27BrN4O/c26-21-9-7-17(8-10-21)24-22(30-11-2-1-6-23(30)27-24)16-28-12-19-14-29(15-20(19)13-28)25(31)18-4-3-5-18/h1-2,6-11,18-20H,3-5,12-16H2
InChIKeyCPDAXICXNQVSOR-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.45
Rot. Bonds4

About [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone

[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone (PubChem CID 139491964) has the molecular formula C25H27BrN4O and a molecular weight of 479.42 g/mol. Its IUPAC name is [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
PubChem CID139491964
Molecular FormulaC25H27BrN4O
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC Name[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C25H27BrN4O/c26-21-9-7-17(8-10-21)24-22(30-11-2-1-6-23(30)27-24)16-28-12-19-14-29(15-20(19)13-28)25(31)18-4-3-5-18/h1-2,6-11,18-20H,3-5,12-16H2
InChIKeyCPDAXICXNQVSOR-UHFFFAOYSA-N
XLogP4.45
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone 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]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone?
The IUPAC name of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone (CID 139491964) is [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone?
The canonical SMILES for [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1.
What is the InChIKey of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone?
The InChIKey is CPDAXICXNQVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O/c26-21-9-7-17(8-10-21)24-22(30-11-2-1-6-23(30)27-24)16-28-12-19-14-29(15-20(19)13-28)25(31)18-4-3-5-18/h1-2,6-11,18-20H,3-5,12-16H2.
What are the key properties of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone?
[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone has a molecular weight of 479.42 g/mol, XLogP of 4.45, 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]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone is sourced from PubChem (CID 139491964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).