(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate

C21H16N2O2 — CID 10314426

IUPAC(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12
InChIInChI=1S/C21H16N2O2/c1-15(24)25-21-18-13-8-14-22-23(18)20(17-11-6-3-7-12-17)19(21)16-9-4-2-5-10-16/h2-14H,1H3
InChIKeyIQWJITMJTXMVPQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.59
Rot. Bonds3

About (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate

(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate (PubChem CID 10314426) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate.

Molecular Properties

Compound Name(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate
PubChem CID10314426
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12
InChIInChI=1S/C21H16N2O2/c1-15(24)25-21-18-13-8-14-22-23(18)20(17-11-6-3-7-12-17)19(21)16-9-4-2-5-10-16/h2-14H,1H3
InChIKeyIQWJITMJTXMVPQ-UHFFFAOYSA-N
XLogP4.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-Cyano-2,3-diphenylindolizin-1-yl) acetate
CID 10066595
[1-(2-Morpholin-4-ylethyl)indol-3-yl] acetate
CID 24851127
4-Ethoxy-1-(oxan-4-yl)-6-phenylpyrazolo[4,3-c]pyridine
CID 175944907
(2,3-Diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate
CID 15064245
(2,3-Diphenylindolizin-1-yl) acetate
CID 15573733
[4-[Benzotriazol-1-yl(pyridin-2-yl)methyl]phenyl] acetate
CID 162672710
3-Acetyloxy-1-phenylindole
CID 22012240
1-benzyl-1H-indol-3-yl acetate
CID 66524635
[3-[(5-Acetoxy-2-methyl-pyrazolo[1,5-a]pyridin-3-yl)methyl]-2-methyl-pyrazolo[1,5-a]pyridin-5-yl] acetate
CID 386502
5-Ethoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
CID 10615176
5-Dichlorophosphoryloxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
CID 10763667
5-Methoxy-6,7-diphenylpyrrolo[1,2-b]pyridazine
CID 10851778

Frequently Asked Questions

What is the IUPAC name of (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate?
The IUPAC name of (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate (CID 10314426) is (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate.
What is the SMILES notation for (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate?
The canonical SMILES for (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate is CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncccc12.
What is the InChIKey of (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate?
The InChIKey is IQWJITMJTXMVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-15(24)25-21-18-13-8-14-22-23(18)20(17-11-6-3-7-12-17)19(21)16-9-4-2-5-10-16/h2-14H,1H3.
What are the key properties of (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate?
(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate has a molecular weight of 328.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) acetate is sourced from PubChem (CID 10314426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).