4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one

C24H21N5O2 — CID 30607364

IUPAC4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCc2ccccc21
InChIInChI=1S/C24H21N5O2/c30-21(27-13-12-16-6-4-5-9-20(16)27)15-28-24(31)23-19(22(26-28)17-10-11-17)14-25-29(23)18-7-2-1-3-8-18/h1-9,14,17H,10-13,15H2
InChIKeyZYAHRUPMFVHKHJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.05
Rot. Bonds4

About 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one

4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 30607364) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID30607364
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCc2ccccc21
InChIInChI=1S/C24H21N5O2/c30-21(27-13-12-16-6-4-5-9-20(16)27)15-28-24(31)23-19(22(26-28)17-10-11-17)14-25-29(23)18-7-2-1-3-8-18/h1-9,14,17H,10-13,15H2
InChIKeyZYAHRUPMFVHKHJ-UHFFFAOYSA-N
XLogP3.05
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846385
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466
benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
CID 30607424
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847048
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607406
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
CID 30607501
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
CID 30607470
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846658
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912849
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-nitrophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 46426295
1-(4-chlorophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16798461

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one (CID 30607364) is 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one is O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCc2ccccc21.
What is the InChIKey of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is ZYAHRUPMFVHKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-21(27-13-12-16-6-4-5-9-20(16)27)15-28-24(31)23-19(22(26-28)17-10-11-17)14-25-29(23)18-7-2-1-3-8-18/h1-9,14,17H,10-13,15H2.
What are the key properties of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 411.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 30607364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).