N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide

C23H24FN7O5 — CID 54681945

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide
SMILESCc1nnc(C(=O)N2CCC3(CC2)NCCn2c3nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)o1
InChIInChI=1S/C23H24FN7O5/c1-13-28-29-19(36-13)21(35)30-9-6-23(7-10-30)22-27-16(17(32)20(34)31(22)11-8-26-23)18(33)25-12-14-2-4-15(24)5-3-14/h2-5,26,32H,6-12H2,1H3,(H,25,33)
InChIKeyYGTHUZBHWKAXOU-UHFFFAOYSA-N
MW497.49 g/mol
LogP0.44
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide (PubChem CID 54681945) has the molecular formula C23H24FN7O5 and a molecular weight of 497.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide
PubChem CID54681945
Molecular FormulaC23H24FN7O5
Molecular Weight497.49 g/mol
Exact Mass497.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide
SMILESCc1nnc(C(=O)N2CCC3(CC2)NCCn2c3nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)o1
InChIInChI=1S/C23H24FN7O5/c1-13-28-29-19(36-13)21(35)30-9-6-23(7-10-30)22-27-16(17(32)20(34)31(22)11-8-26-23)18(33)25-12-14-2-4-15(24)5-3-14/h2-5,26,32H,6-12H2,1H3,(H,25,33)
InChIKeyYGTHUZBHWKAXOU-UHFFFAOYSA-N
XLogP0.44
TPSA155.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide (CID 54681945) is N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide is Cc1nnc(C(=O)N2CCC3(CC2)NCCn2c3nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide?
The InChIKey is YGTHUZBHWKAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O5/c1-13-28-29-19(36-13)21(35)30-9-6-23(7-10-30)22-27-16(17(32)20(34)31(22)11-8-26-23)18(33)25-12-14-2-4-15(24)5-3-14/h2-5,26,32H,6-12H2,1H3,(H,25,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide has a molecular weight of 497.49 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-1'-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 54681945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).