1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

C25H28N4O2 — CID 59704425

IUPAC1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCCN1C[C@@H]2CN(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cn3)C[C@@H]2C1
InChIInChI=1S/C25H28N4O2/c1-2-27-14-20-16-28(17-21(20)15-27)24-9-8-22(13-26-24)29-11-10-23(12-25(29)30)31-18-19-6-4-3-5-7-19/h3-13,20-21H,2,14-18H2,1H3/t20-,21+
InChIKeyOETQZNOYGHIVSC-OYRHEFFESA-N
MW416.53 g/mol
LogP3.20
Rot. Bonds6

About 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 59704425) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID59704425
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCCN1C[C@@H]2CN(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cn3)C[C@@H]2C1
InChIInChI=1S/C25H28N4O2/c1-2-27-14-20-16-28(17-21(20)15-27)24-9-8-22(13-26-24)29-11-10-23(12-25(29)30)31-18-19-6-4-3-5-7-19/h3-13,20-21H,2,14-18H2,1H3/t20-,21+
InChIKeyOETQZNOYGHIVSC-OYRHEFFESA-N
XLogP3.20
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 71104059
tert-butyl 2-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 24966880
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968323
1-[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968671
1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964039
1-[6-[3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964400
1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24967972
1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704509
tert-butyl 2-[5-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 24965121
4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 24965117
2-methoxy-2-methylpropane;1-[5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-phenylmethoxypyridin-2-one;hydrate
CID 143653290

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (CID 59704425) is 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is CCN1C[C@@H]2CN(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cn3)C[C@@H]2C1.
What is the InChIKey of 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is OETQZNOYGHIVSC-OYRHEFFESA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-27-14-20-16-28(17-21(20)15-27)24-9-8-22(13-26-24)29-11-10-23(12-25(29)30)31-18-19-6-4-3-5-7-19/h3-13,20-21H,2,14-18H2,1H3/t20-,21+.
What are the key properties of 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 416.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 59704425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).