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

C23H24FN5O3 — CID 54686316

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1ccccn1
InChIInChI=1S/C23H24FN5O3/c1-23(2)22-27-18(20(31)26-13-15-6-8-16(24)9-7-15)19(30)21(32)29(22)12-11-28(23)14-17-5-3-4-10-25-17/h3-10,30H,11-14H2,1-2H3,(H,26,31)
InChIKeyVQKMITXYEKFPGK-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.16
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54686316) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54686316
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1ccccn1
InChIInChI=1S/C23H24FN5O3/c1-23(2)22-27-18(20(31)26-13-15-6-8-16(24)9-7-15)19(30)21(32)29(22)12-11-28(23)14-17-5-3-4-10-25-17/h3-10,30H,11-14H2,1-2H3,(H,26,31)
InChIKeyVQKMITXYEKFPGK-UHFFFAOYSA-N
XLogP2.16
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridin-2-ylformamido)propan-2-yl]-1,6-dihydropyrimidine-4-carboxamide
CID 54737248
2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 9911960
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 11762405
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686311
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(1-methylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686318
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-[2-(2-pyridyl)ethyl]-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686319
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(2-methylpyrazol-3-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698281
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(1-methyltriazol-4-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698286
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
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-pyridin-2-ylmethyl-acetamide
CID 9842688
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(4-methyl-pyridin-2-ylmethyl)-acetamide
CID 9954289

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54686316) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1ccccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is VQKMITXYEKFPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-23(2)22-27-18(20(31)26-13-15-6-8-16(24)9-7-15)19(30)21(32)29(22)12-11-28(23)14-17-5-3-4-10-25-17/h3-10,30H,11-14H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyridin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54686316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).