(7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C13H15N3O2 — CID 100638388

IUPAC(7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESC[C@@H]1CCN2C(=O)N(c3cccnc3)C(=O)[C@@H]2C1
InChIInChI=1S/C13H15N3O2/c1-9-4-6-15-11(7-9)12(17)16(13(15)18)10-3-2-5-14-8-10/h2-3,5,8-9,11H,4,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyKBSYESQRMZRAPP-KOLCDFICSA-N
MW245.28 g/mol
LogP1.65
Rot. Bonds1

About (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

(7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 100638388) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name(7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID100638388
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESC[C@@H]1CCN2C(=O)N(c3cccnc3)C(=O)[C@@H]2C1
InChIInChI=1S/C13H15N3O2/c1-9-4-6-15-11(7-9)12(17)16(13(15)18)10-3-2-5-14-8-10/h2-3,5,8-9,11H,4,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyKBSYESQRMZRAPP-KOLCDFICSA-N
XLogP1.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(7S,8aS)-2-(1,3-dioxoisoindol-5-yl)-7-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99779506
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
(8aS)-2-phenyl-7-(pyridine-3-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7673948
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
5-pyridin-3-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 91809542
(1R,2S,6R,7R,8S,9R)-8,9-dibromo-4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124725203
(2R,6S,8R,12S)-4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 7060312
2-chloro-N-[2-(3-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 3782760
N-[2-(4-chlorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyrazine-2-carboxamide
CID 3859825
2-(4-aminophenyl)-7-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 114430618
1-pyridin-3-ylpyrrolidin-2-ol
CID 139888349
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 100638388) is (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is C[C@@H]1CCN2C(=O)N(c3cccnc3)C(=O)[C@@H]2C1.
What is the InChIKey of (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is KBSYESQRMZRAPP-KOLCDFICSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-6-15-11(7-9)12(17)16(13(15)18)10-3-2-5-14-8-10/h2-3,5,8-9,11H,4,6-7H2,1H3/t9-,11+/m1/s1.
What are the key properties of (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
(7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-methyl-2-pyridin-3-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 100638388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).