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

C19H16FN5O2 — CID 118598810

IUPAC3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(Cc2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C19H16FN5O2/c1-19(10-12-2-4-13(20)5-3-12)24-17(26)15-7-6-14(18(27)25(15)19)23-16-8-9-21-11-22-16/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyYAEYTHHRBQCSNR-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.18
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598810) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598810
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(Cc2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C19H16FN5O2/c1-19(10-12-2-4-13(20)5-3-12)24-17(26)15-7-6-14(18(27)25(15)19)23-16-8-9-21-11-22-16/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyYAEYTHHRBQCSNR-UHFFFAOYSA-N
XLogP2.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598810) is 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(Cc2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is YAEYTHHRBQCSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-19(10-12-2-4-13(20)5-3-12)24-17(26)15-7-6-14(18(27)25(15)19)23-16-8-9-21-11-22-16/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 365.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).