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

C22H18FN5O2 — CID 16846385

IUPAC6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H18FN5O2/c1-14-18-12-24-28(17-8-6-16(23)7-9-17)21(18)22(30)27(25-14)13-20(29)26-11-10-15-4-2-3-5-19(15)26/h2-9,12H,10-11,13H2,1H3
InChIKeyLSRDSQSOFQEZPQ-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.62
Rot. Bonds3

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

6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846385) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846385
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H18FN5O2/c1-14-18-12-24-28(17-8-6-16(23)7-9-17)21(18)22(30)27(25-14)13-20(29)26-11-10-15-4-2-3-5-19(15)26/h2-9,12H,10-11,13H2,1H3
InChIKeyLSRDSQSOFQEZPQ-UHFFFAOYSA-N
XLogP2.62
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one (CID 16846385) is 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one is Cc1nn(CC(=O)N2CCc3ccccc32)c(=O)c2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is LSRDSQSOFQEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-14-18-12-24-28(17-8-6-16(23)7-9-17)21(18)22(30)27(25-14)13-20(29)26-11-10-15-4-2-3-5-19(15)26/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 403.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).