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

C21H23FN6O3 — CID 71593645

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCn1nccc1N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1(C)C
InChIInChI=1S/C21H23FN6O3/c1-21(2)20-25-16(18(30)23-12-13-4-6-14(22)7-5-13)17(29)19(31)27(20)10-11-28(21)15-8-9-24-26(15)3/h4-9,29H,10-12H2,1-3H3,(H,23,30)
InChIKeyGOUGYJOKUBIXDC-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.51
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 71593645) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-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-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID71593645
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCn1nccc1N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1(C)C
InChIInChI=1S/C21H23FN6O3/c1-21(2)20-25-16(18(30)23-12-13-4-6-14(22)7-5-13)17(29)19(31)27(20)10-11-28(21)15-8-9-24-26(15)3/h4-9,29H,10-12H2,1-3H3,(H,23,30)
InChIKeyGOUGYJOKUBIXDC-UHFFFAOYSA-N
XLogP1.51
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-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-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 71593645) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-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-methylpyrazol-3-yl)-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-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is Cn1nccc1N1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GOUGYJOKUBIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-21(2)20-25-16(18(30)23-12-13-4-6-14(22)7-5-13)17(29)19(31)27(20)10-11-28(21)15-8-9-24-26(15)3/h4-9,29H,10-12H2,1-3H3,(H,23,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 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-methylpyrazol-3-yl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71593645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).