N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide

C26H23N11O4 — CID 59716755

IUPACN,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide
SMILESCN(C)C(=O)CN(C)c1c(-c2cnc(-c3ncco3)nc2)cnn2c(=O)n(Cc3ccc(-c4ccno4)cn3)nc12
InChIInChI=1S/C26H23N11O4/c1-34(2)21(38)15-35(3)22-19(17-11-29-23(30-12-17)25-27-8-9-40-25)13-31-37-24(22)33-36(26(37)39)14-18-5-4-16(10-28-18)20-6-7-32-41-20/h4-13H,14-15H2,1-3H3
InChIKeyWIYBPUUNFFPBPM-UHFFFAOYSA-N
MW553.54 g/mol
LogP1.63
Rot. Bonds8

About N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide

N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide (PubChem CID 59716755) has the molecular formula C26H23N11O4 and a molecular weight of 553.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide
PubChem CID59716755
Molecular FormulaC26H23N11O4
Molecular Weight553.54 g/mol
Exact Mass553.19
IUPAC NameN,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide
SMILESCN(C)C(=O)CN(C)c1c(-c2cnc(-c3ncco3)nc2)cnn2c(=O)n(Cc3ccc(-c4ccno4)cn3)nc12
InChIInChI=1S/C26H23N11O4/c1-34(2)21(38)15-35(3)22-19(17-11-29-23(30-12-17)25-27-8-9-40-25)13-31-37-24(22)33-36(26(37)39)14-18-5-4-16(10-28-18)20-6-7-32-41-20/h4-13H,14-15H2,1-3H3
InChIKeyWIYBPUUNFFPBPM-UHFFFAOYSA-N
XLogP1.63
TPSA166.47 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.54
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide (CID 59716755) is N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide is CN(C)C(=O)CN(C)c1c(-c2cnc(-c3ncco3)nc2)cnn2c(=O)n(Cc3ccc(-c4ccno4)cn3)nc12.
What is the InChIKey of N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide?
The InChIKey is WIYBPUUNFFPBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N11O4/c1-34(2)21(38)15-35(3)22-19(17-11-29-23(30-12-17)25-27-8-9-40-25)13-31-37-24(22)33-36(26(37)39)14-18-5-4-16(10-28-18)20-6-7-32-41-20/h4-13H,14-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide?
N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide has a molecular weight of 553.54 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[2-[[5-(1,2-oxazol-5-yl)-2-pyridinyl]methyl]-7-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]acetamide is sourced from PubChem (CID 59716755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).