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

C21H18N4O3 — CID 11068777

IUPACethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C21H18N4O3/c1-2-28-19(27)14-25-18(26)12-11-16(22-25)20-17-10-6-7-13-24(17)23-21(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyYSMWISAVSLRYJZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.79
Rot. Bonds5

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

ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate (PubChem CID 11068777) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
PubChem CID11068777
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Nameethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C21H18N4O3/c1-2-28-19(27)14-25-18(26)12-11-16(22-25)20-17-10-6-7-13-24(17)23-21(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeyYSMWISAVSLRYJZ-UHFFFAOYSA-N
XLogP2.79
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]octanoate
CID 67747014
N-ethyl-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetamide
CID 11100793
methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate
CID 10499639
3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
CID 10784740
2-(2-aminoethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 19008993
ethyl 4-oxo-3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylate
CID 22629201
2-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 139890304
2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10981452
2-[2-(azepan-1-yl)ethyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10982551
ethyl 2-[4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanoylamino]acetate
CID 22629256
2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohepten-1-yl]acetic acid
CID 15522349
ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate (CID 11068777) is ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate is CCOC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.
What is the InChIKey of ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate?
The InChIKey is YSMWISAVSLRYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-28-19(27)14-25-18(26)12-11-16(22-25)20-17-10-6-7-13-24(17)23-21(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate?
ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate has a molecular weight of 374.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate is sourced from PubChem (CID 11068777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).