N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide

C21H19N5O2 — CID 11100793

IUPACN-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C21H19N5O2/c1-2-22-18(27)14-26-19(28)12-11-16(23-26)20-17-10-6-7-13-25(17)24-21(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,27)
InChIKeyIBEHMGIHOMPDME-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide

N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide (PubChem CID 11100793) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide
PubChem CID11100793
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C21H19N5O2/c1-2-22-18(27)14-26-19(28)12-11-16(23-26)20-17-10-6-7-13-25(17)24-21(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,27)
InChIKeyIBEHMGIHOMPDME-UHFFFAOYSA-N
XLogP2.36
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
CID 11068777
3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
CID 10784740
methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate
CID 10499639
2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 19008993
ethyl 8-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoate
CID 67747014
6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one
CID 19009026
2-[2-(azepan-1-yl)ethyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10982551
2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10981452
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71706477
2-(2,6-dichlorophenyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 11690584
2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 22629184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide (CID 11100793) is N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide is CCNC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.
What is the InChIKey of N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide?
The InChIKey is IBEHMGIHOMPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-22-18(27)14-26-19(28)12-11-16(23-26)20-17-10-6-7-13-25(17)24-21(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,27).
What are the key properties of N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide?
N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 11100793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).