[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]-(6-methoxy-2-pyridinyl)methanone

C27H26BrN5O2 — CID 139491978

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]-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CC3CN(Cc4c(-c5ccc(Br)cc5)nc5ccccn45)CC3C2)n1
InChIInChI=1S/C27H26BrN5O2/c1-35-25-7-4-5-22(29-25)27(34)32-15-19-13-31(14-20(19)16-32)17-23-26(18-8-10-21(28)11-9-18)30-24-6-2-3-12-33(23)24/h2-12,19-20H,13-17H2,1H3
InChIKeyIUNZPGRRUGDWGV-UHFFFAOYSA-N
MW532.44 g/mol
LogP4.37
Rot. Bonds5

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]-(6-methoxy-2-pyridinyl)methanone

[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]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 139491978) has the molecular formula C27H26BrN5O2 and a molecular weight of 532.44 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]-(6-methoxy-2-pyridinyl)methanone.

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]-(6-methoxy-2-pyridinyl)methanone
PubChem CID139491978
Molecular FormulaC27H26BrN5O2
Molecular Weight532.44 g/mol
Exact Mass531.13
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]-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CC3CN(Cc4c(-c5ccc(Br)cc5)nc5ccccn45)CC3C2)n1
InChIInChI=1S/C27H26BrN5O2/c1-35-25-7-4-5-22(29-25)27(34)32-15-19-13-31(14-20(19)16-32)17-23-26(18-8-10-21(28)11-9-18)30-24-6-2-3-12-33(23)24/h2-12,19-20H,13-17H2,1H3
InChIKeyIUNZPGRRUGDWGV-UHFFFAOYSA-N
XLogP4.37
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]-(6-methoxy-2-pyridinyl)methanone 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]-(6-methoxy-2-pyridinyl)methanone?
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]-(6-methoxy-2-pyridinyl)methanone (CID 139491978) 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]-(6-methoxy-2-pyridinyl)methanone.
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]-(6-methoxy-2-pyridinyl)methanone?
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]-(6-methoxy-2-pyridinyl)methanone is COc1cccc(C(=O)N2CC3CN(Cc4c(-c5ccc(Br)cc5)nc5ccccn45)CC3C2)n1.
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]-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is IUNZPGRRUGDWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN5O2/c1-35-25-7-4-5-22(29-25)27(34)32-15-19-13-31(14-20(19)16-32)17-23-26(18-8-10-21(28)11-9-18)30-24-6-2-3-12-33(23)24/h2-12,19-20H,13-17H2,1H3.
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]-(6-methoxy-2-pyridinyl)methanone?
[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]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 532.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 139491978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).