N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide

C15H13FN4O3 — CID 54729445

IUPACN-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCn1ccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C15H13FN4O3/c1-19-6-7-20-14(23)12(21)11(18-15(19)20)13(22)17-8-9-2-4-10(16)5-3-9/h2-7,21H,8H2,1H3,(H,17,22)
InChIKeyUDYIAZORXJZVIL-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.81
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide

N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 54729445) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID54729445
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC NameN-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCn1ccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C15H13FN4O3/c1-19-6-7-20-14(23)12(21)11(18-15(19)20)13(22)17-8-9-2-4-10(16)5-3-9/h2-7,21H,8H2,1H3,(H,17,22)
InChIKeyUDYIAZORXJZVIL-UHFFFAOYSA-N
XLogP0.81
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide (CID 54729445) is N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide is Cn1ccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is UDYIAZORXJZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-19-6-7-20-14(23)12(21)11(18-15(19)20)13(22)17-8-9-2-4-10(16)5-3-9/h2-7,21H,8H2,1H3,(H,17,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 316.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 54729445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).