N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C17H18N8O2 — CID 121168767

IUPACN-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCCn1ncccc1=O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C17H18N8O2/c26-16-3-1-4-22-25(16)8-6-18-17(27)13-10-23(11-13)14-9-15(20-12-19-14)24-7-2-5-21-24/h1-5,7,9,12-13H,6,8,10-11H2,(H,18,27)
InChIKeyWIOSUJRAHUSXFS-UHFFFAOYSA-N
MW366.39 g/mol
LogP-0.53
Rot. Bonds6

About N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168767) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168767
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC NameN-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCCn1ncccc1=O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C17H18N8O2/c26-16-3-1-4-22-25(16)8-6-18-17(27)13-10-23(11-13)14-9-15(20-12-19-14)24-7-2-5-21-24/h1-5,7,9,12-13H,6,8,10-11H2,(H,18,27)
InChIKeyWIOSUJRAHUSXFS-UHFFFAOYSA-N
XLogP-0.53
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101017
N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168611
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520683
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56724685
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168598
1-(6-indol-1-ylpyrimidin-4-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 72719837
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957
2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 122337316
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
N-(1,2-oxazol-3-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168746
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101015

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168767) is N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(NCCn1ncccc1=O)C1CN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is WIOSUJRAHUSXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c26-16-3-1-4-22-25(16)8-6-18-17(27)13-10-23(11-13)14-9-15(20-12-19-14)24-7-2-5-21-24/h1-5,7,9,12-13H,6,8,10-11H2,(H,18,27).
What are the key properties of N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 366.39 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).