N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

C23H30FN5O4 — CID 54728248

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CCC1CNCCO1
InChIInChI=1S/C23H30FN5O4/c1-23(2)22-27-18(20(31)26-13-15-3-5-16(24)6-4-15)19(30)21(32)29(22)11-10-28(23)9-7-17-14-25-8-12-33-17/h3-6,17,25,30H,7-14H2,1-2H3,(H,26,31)
InChIKeyMDDYFXPWHGZTMR-UHFFFAOYSA-N
MW459.52 g/mol
LogP0.95
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54728248) has the molecular formula C23H30FN5O4 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54728248
Molecular FormulaC23H30FN5O4
Molecular Weight459.52 g/mol
Exact Mass459.23
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CCC1CNCCO1
InChIInChI=1S/C23H30FN5O4/c1-23(2)22-27-18(20(31)26-13-15-3-5-16(24)6-4-15)19(30)21(32)29(22)11-10-28(23)9-7-17-14-25-8-12-33-17/h3-6,17,25,30H,7-14H2,1-2H3,(H,26,31)
InChIKeyMDDYFXPWHGZTMR-UHFFFAOYSA-N
XLogP0.95
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54728248) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CCC1CNCCO1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MDDYFXPWHGZTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O4/c1-23(2)22-27-18(20(31)26-13-15-3-5-16(24)6-4-15)19(30)21(32)29(22)11-10-28(23)9-7-17-14-25-8-12-33-17/h3-6,17,25,30H,7-14H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54728248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).