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

C18H14FN5O2 — CID 118599004

IUPAC3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C18H14FN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10H,1H3,(H,23,25)(H,20,21,22)
InChIKeyIUWQSSGZFYFDEM-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.99
Rot. Bonds3

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

3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118599004) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118599004
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C18H14FN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10H,1H3,(H,23,25)(H,20,21,22)
InChIKeyIUWQSSGZFYFDEM-UHFFFAOYSA-N
XLogP1.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Emapunil
CID 6433109
Imanixil
CID 216289
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
Pyrido[2,3-d]pyrimidin-7-one 19
CID 5330346
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 44
CID 5330230
N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]pyrimidine-2-carboxamide
CID 54737250

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118599004) is 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(c2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is IUWQSSGZFYFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 351.34 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-(4-fluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118599004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).