3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

C17H19N5O2 — CID 118598705

IUPAC3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C2CCCC2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C17H19N5O2/c1-17(11-4-2-3-5-11)21-15(23)13-7-6-12(16(24)22(13)17)20-14-8-9-18-10-19-14/h6-11H,2-5H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyPVFRNMLGINKVRT-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.99
Rot. Bonds3

About 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598705) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598705
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C2CCCC2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C17H19N5O2/c1-17(11-4-2-3-5-11)21-15(23)13-7-6-12(16(24)22(13)17)20-14-8-9-18-10-19-14/h6-11H,2-5H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyPVFRNMLGINKVRT-UHFFFAOYSA-N
XLogP1.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598705) is 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C2CCCC2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is PVFRNMLGINKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(11-4-2-3-5-11)21-15(23)13-7-6-12(16(24)22(13)17)20-14-8-9-18-10-19-14/h6-11H,2-5H2,1H3,(H,21,23)(H,18,19,20).
What are the key properties of 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 325.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).