3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C24H18FN7O3 — CID 121026972

IUPAC3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)c4c[nH]c(=O)n(Cc5ccccc5F)c4=O)cc3)nn12
InChIInChI=1S/C24H18FN7O3/c1-14-28-29-21-11-10-20(30-32(14)21)15-6-8-17(9-7-15)27-22(33)18-12-26-24(35)31(23(18)34)13-16-4-2-3-5-19(16)25/h2-12H,13H2,1H3,(H,26,35)(H,27,33)
InChIKeyZHCBTOMXGRBAHH-UHFFFAOYSA-N
MW471.45 g/mol
LogP2.39
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121026972) has the molecular formula C24H18FN7O3 and a molecular weight of 471.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121026972
Molecular FormulaC24H18FN7O3
Molecular Weight471.45 g/mol
Exact Mass471.15
IUPAC Name3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nnc2ccc(-c3ccc(NC(=O)c4c[nH]c(=O)n(Cc5ccccc5F)c4=O)cc3)nn12
InChIInChI=1S/C24H18FN7O3/c1-14-28-29-21-11-10-20(30-32(14)21)15-6-8-17(9-7-15)27-22(33)18-12-26-24(35)31(23(18)34)13-16-4-2-3-5-19(16)25/h2-12H,13H2,1H3,(H,26,35)(H,27,33)
InChIKeyZHCBTOMXGRBAHH-UHFFFAOYSA-N
XLogP2.39
TPSA127.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026774
N-(3,5-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026748
3-[(2-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778419
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
CID 7532343
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026900
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970
N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026754
N-(4-bromo-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026744
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
CID 121026784
3-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027099
2-(1H-indol-3-yl)-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036769
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
CID 121026910

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121026972) is 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1nnc2ccc(-c3ccc(NC(=O)c4c[nH]c(=O)n(Cc5ccccc5F)c4=O)cc3)nn12.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZHCBTOMXGRBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O3/c1-14-28-29-21-11-10-20(30-32(14)21)15-6-8-17(9-7-15)27-22(33)18-12-26-24(35)31(23(18)34)13-16-4-2-3-5-19(16)25/h2-12H,13H2,1H3,(H,26,35)(H,27,33).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 471.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).