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

C24H27BrN4O2 — CID 139491973

IUPACpropan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C24H27BrN4O2/c1-16(2)31-24(30)28-13-18-11-27(12-19(18)14-28)15-21-23(17-6-8-20(25)9-7-17)26-22-5-3-4-10-29(21)22/h3-10,16,18-19H,11-15H2,1-2H3
InChIKeyNGLIGRIXZZXCRF-UHFFFAOYSA-N
MW483.41 g/mol
LogP4.67
Rot. Bonds4

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

propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 139491973) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
PubChem CID139491973
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Namepropan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1
InChIInChI=1S/C24H27BrN4O2/c1-16(2)31-24(30)28-13-18-11-27(12-19(18)14-28)15-21-23(17-6-8-20(25)9-7-17)26-22-5-3-4-10-29(21)22/h3-10,16,18-19H,11-15H2,1-2H3
InChIKeyNGLIGRIXZZXCRF-UHFFFAOYSA-N
XLogP4.67
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (CID 139491973) is propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is CC(C)OC(=O)N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1.
What is the InChIKey of propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The InChIKey is NGLIGRIXZZXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-16(2)31-24(30)28-13-18-11-27(12-19(18)14-28)15-21-23(17-6-8-20(25)9-7-17)26-22-5-3-4-10-29(21)22/h3-10,16,18-19H,11-15H2,1-2H3.
What are the key properties of propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 483.41 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 139491973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).