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

C24H20FN5O2 — CID 30607544

IUPAC4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)N1CCc2ccccc21
InChIInChI=1S/C24H20FN5O2/c25-17-7-9-18(10-8-17)30-23-19(13-26-30)22(16-5-6-16)27-29(24(23)32)14-21(31)28-12-11-15-3-1-2-4-20(15)28/h1-4,7-10,13,16H,5-6,11-12,14H2
InChIKeyZMROXIGHRUBDCA-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.19
Rot. Bonds4

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

4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one (PubChem CID 30607544) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one
PubChem CID30607544
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)N1CCc2ccccc21
InChIInChI=1S/C24H20FN5O2/c25-17-7-9-18(10-8-17)30-23-19(13-26-30)22(16-5-6-16)27-29(24(23)32)14-21(31)28-12-11-15-3-1-2-4-20(15)28/h1-4,7-10,13,16H,5-6,11-12,14H2
InChIKeyZMROXIGHRUBDCA-UHFFFAOYSA-N
XLogP3.19
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one (CID 30607544) is 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one is O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)N1CCc2ccccc21.
What is the InChIKey of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is ZMROXIGHRUBDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-17-7-9-18(10-8-17)30-23-19(13-26-30)22(16-5-6-16)27-29(24(23)32)14-21(31)28-12-11-15-3-1-2-4-20(15)28/h1-4,7-10,13,16H,5-6,11-12,14H2.
What are the key properties of 4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one?
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 429.46 g/mol, XLogP of 3.19, 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-(4-fluorophenyl)pyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 30607544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).