2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide

C20H17N7O4 — CID 90538867

IUPAC2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H17N7O4/c28-17-8-7-16(25-11-4-9-23-25)24-26(17)12-10-21-18(29)15-13-22-20(31)27(19(15)30)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,21,29)(H,22,31)
InChIKeyPSSDXHGWIMVTKS-UHFFFAOYSA-N
MW419.40 g/mol
LogP-0.30
Rot. Bonds6

About 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 90538867) has the molecular formula C20H17N7O4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID90538867
Molecular FormulaC20H17N7O4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H17N7O4/c28-17-8-7-16(25-11-4-9-23-25)24-26(17)12-10-21-18(29)15-13-22-20(31)27(19(15)30)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,21,29)(H,22,31)
InChIKeyPSSDXHGWIMVTKS-UHFFFAOYSA-N
XLogP-0.30
TPSA136.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 121119752
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90516273
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122277998
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122278053
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71790801
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide (CID 90538867) is 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide is O=C(NCCn1nc(-n2cccn2)ccc1=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is PSSDXHGWIMVTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O4/c28-17-8-7-16(25-11-4-9-23-25)24-26(17)12-10-21-18(29)15-13-22-20(31)27(19(15)30)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,21,29)(H,22,31).
What are the key properties of 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 419.40 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90538867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).