(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C18H23N5O — CID 124815355

IUPAC(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCc1cccc(CN2C[C@H]3CN(Cc4nccn4C)C[C@H]3C2=O)n1
InChIInChI=1S/C18H23N5O/c1-13-4-3-5-15(20-13)10-23-9-14-8-22(11-16(14)18(23)24)12-17-19-6-7-21(17)2/h3-7,14,16H,8-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyFBXQMCJWYTVKCA-GDBMZVCRSA-N
MW325.42 g/mol
LogP1.21
Rot. Bonds4

About (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 124815355) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID124815355
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCc1cccc(CN2C[C@H]3CN(Cc4nccn4C)C[C@H]3C2=O)n1
InChIInChI=1S/C18H23N5O/c1-13-4-3-5-15(20-13)10-23-9-14-8-22(11-16(14)18(23)24)12-17-19-6-7-21(17)2/h3-7,14,16H,8-12H2,1-2H3/t14-,16-/m1/s1
InChIKeyFBXQMCJWYTVKCA-GDBMZVCRSA-N
XLogP1.21
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one with MolForge

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Related Compounds

(3aS,6aR)-5-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124816637
(3aR,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 124795494
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
2-[(6-methyl-2-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155857370
(3aS,7aS)-2-[(6-methyl-2-pyridinyl)methyl]-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 124797364
(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457917
(3aR,6aS)-2-[(1-methylimidazol-2-yl)methyl]-5-pyridin-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155856747
1-[(6-methyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 115370613
1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
CID 79260974
5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 112594217
(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699950
6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine
CID 110111465

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 124815355) is (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is Cc1cccc(CN2C[C@H]3CN(Cc4nccn4C)C[C@H]3C2=O)n1.
What is the InChIKey of (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is FBXQMCJWYTVKCA-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-4-3-5-15(20-13)10-23-9-14-8-22(11-16(14)18(23)24)12-17-19-6-7-21(17)2/h3-7,14,16H,8-12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 325.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 124815355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).