1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

C23H24N4O2 — CID 71104059

IUPAC1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CC3CNC[C@@H]3C2)nc1
InChIInChI=1S/C23H24N4O2/c28-23-10-21(29-16-17-4-2-1-3-5-17)8-9-27(23)20-6-7-22(25-13-20)26-14-18-11-24-12-19(18)15-26/h1-10,13,18-19,24H,11-12,14-16H2/t18-,19?/m1/s1
InChIKeyRIABOXAYCDIZFE-MRTLOADZSA-N
MW388.47 g/mol
LogP2.47
Rot. Bonds5

About 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 71104059) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID71104059
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CC3CNC[C@@H]3C2)nc1
InChIInChI=1S/C23H24N4O2/c28-23-10-21(29-16-17-4-2-1-3-5-17)8-9-27(23)20-6-7-22(25-13-20)26-14-18-11-24-12-19(18)15-26/h1-10,13,18-19,24H,11-12,14-16H2/t18-,19?/m1/s1
InChIKeyRIABOXAYCDIZFE-MRTLOADZSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 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) is 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CC3CNC[C@@H]3C2)nc1.
What is the InChIKey of 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is RIABOXAYCDIZFE-MRTLOADZSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23-10-21(29-16-17-4-2-1-3-5-17)8-9-27(23)20-6-7-22(25-13-20)26-14-18-11-24-12-19(18)15-26/h1-10,13,18-19,24H,11-12,14-16H2/t18-,19?/m1/s1.
What are the key properties of 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 388.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71104059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).