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

C15H15N5O — CID 124792126

IUPAC(3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C1[C@@H]2CN(c3cccnc3)C[C@@H]2CN1c1cncnc1
InChIInChI=1S/C15H15N5O/c21-15-14-9-19(12-2-1-3-16-4-12)7-11(14)8-20(15)13-5-17-10-18-6-13/h1-6,10-11,14H,7-9H2/t11-,14-/m1/s1
InChIKeyHDDSCRYTIUQEIG-BXUZGUMPSA-N
MW281.32 g/mol
LogP0.97
Rot. Bonds2

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

(3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 124792126) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID124792126
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name(3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C1[C@@H]2CN(c3cccnc3)C[C@@H]2CN1c1cncnc1
InChIInChI=1S/C15H15N5O/c21-15-14-9-19(12-2-1-3-16-4-12)7-11(14)8-20(15)13-5-17-10-18-6-13/h1-6,10-11,14H,7-9H2/t11-,14-/m1/s1
InChIKeyHDDSCRYTIUQEIG-BXUZGUMPSA-N
XLogP0.97
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 124792126) is (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is O=C1[C@@H]2CN(c3cccnc3)C[C@@H]2CN1c1cncnc1.
What is the InChIKey of (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is HDDSCRYTIUQEIG-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15-14-9-19(12-2-1-3-16-4-12)7-11(14)8-20(15)13-5-17-10-18-6-13/h1-6,10-11,14H,7-9H2/t11-,14-/m1/s1.
What are the key properties of (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 281.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-pyridin-3-yl-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 124792126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).