[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone

C27H28N8O2 — CID 176777121

IUPAC[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-c2nc3n(c2-c2ccnc(-c4nc5c([nH]4)CN(C(=O)N4CCOCC4)C5)c2)CCC3)n1
InChIInChI=1S/C27H28N8O2/c1-17-4-2-5-19(29-17)24-25(35-9-3-6-23(35)32-24)18-7-8-28-20(14-18)26-30-21-15-34(16-22(21)31-26)27(36)33-10-12-37-13-11-33/h2,4-5,7-8,14H,3,6,9-13,15-16H2,1H3,(H,30,31)
InChIKeySKPGNBZMZOZCIC-UHFFFAOYSA-N
MW496.58 g/mol
LogP3.42
Rot. Bonds3

About [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone

[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 176777121) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID176777121
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC Name[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-c2nc3n(c2-c2ccnc(-c4nc5c([nH]4)CN(C(=O)N4CCOCC4)C5)c2)CCC3)n1
InChIInChI=1S/C27H28N8O2/c1-17-4-2-5-19(29-17)24-25(35-9-3-6-23(35)32-24)18-7-8-28-20(14-18)26-30-21-15-34(16-22(21)31-26)27(36)33-10-12-37-13-11-33/h2,4-5,7-8,14H,3,6,9-13,15-16H2,1H3,(H,30,31)
InChIKeySKPGNBZMZOZCIC-UHFFFAOYSA-N
XLogP3.42
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone (CID 176777121) is [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone is Cc1cccc(-c2nc3n(c2-c2ccnc(-c4nc5c([nH]4)CN(C(=O)N4CCOCC4)C5)c2)CCC3)n1.
What is the InChIKey of [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is SKPGNBZMZOZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-17-4-2-5-19(29-17)24-25(35-9-3-6-23(35)32-24)18-7-8-28-20(14-18)26-30-21-15-34(16-22(21)31-26)27(36)33-10-12-37-13-11-33/h2,4-5,7-8,14H,3,6,9-13,15-16H2,1H3,(H,30,31).
What are the key properties of [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone?
[2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 496.58 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 176777121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).