3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione

C15H13N5O2 — CID 118598959

IUPAC3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2ccc(-n3ccc4cncnc43)c(=O)n21
InChIInChI=1S/C15H13N5O2/c1-15(2)18-13(21)10-3-4-11(14(22)20(10)15)19-6-5-9-7-16-8-17-12(9)19/h3-8H,1-2H3,(H,18,21)
InChIKeyIEZSRTFZJXWJSC-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.02
Rot. Bonds1

About 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione

3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598959) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598959
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2ccc(-n3ccc4cncnc43)c(=O)n21
InChIInChI=1S/C15H13N5O2/c1-15(2)18-13(21)10-3-4-11(14(22)20(10)15)19-6-5-9-7-16-8-17-12(9)19/h3-8H,1-2H3,(H,18,21)
InChIKeyIEZSRTFZJXWJSC-UHFFFAOYSA-N
XLogP1.02
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598959) is 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C)NC(=O)c2ccc(-n3ccc4cncnc43)c(=O)n21.
What is the InChIKey of 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is IEZSRTFZJXWJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-15(2)18-13(21)10-3-4-11(14(22)20(10)15)19-6-5-9-7-16-8-17-12(9)19/h3-8H,1-2H3,(H,18,21).
What are the key properties of 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 295.30 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).