2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C23H18N8O2 — CID 121036846

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cn1
InChIInChI=1S/C23H18N8O2/c1-15-12-22(33)30(14-25-15)13-21(32)26-18-4-2-16(3-5-18)19-6-7-20-27-28-23(31(20)29-19)17-8-10-24-11-9-17/h2-12,14H,13H2,1H3,(H,26,32)
InChIKeyBRHORPVOUFZQRM-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 121036846) has the molecular formula C23H18N8O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID121036846
Molecular FormulaC23H18N8O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cn1
InChIInChI=1S/C23H18N8O2/c1-15-12-22(33)30(14-25-15)13-21(32)26-18-4-2-16(3-5-18)19-6-7-20-27-28-23(31(20)29-19)17-8-10-24-11-9-17/h2-12,14H,13H2,1H3,(H,26,32)
InChIKeyBRHORPVOUFZQRM-UHFFFAOYSA-N
XLogP2.36
TPSA119.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036620
2-ethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532665
2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036434
1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 121036873
3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873246
1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
CID 121036871
2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873184
N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
CID 7532653
2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036965
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532699
2,6-dimethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873193

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 121036846) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is BRHORPVOUFZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O2/c1-15-12-22(33)30(14-25-15)13-21(32)26-18-4-2-16(3-5-18)19-6-7-20-27-28-23(31(20)29-19)17-8-10-24-11-9-17/h2-12,14H,13H2,1H3,(H,26,32).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 438.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 121036846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).