2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone

C24H23FN4O — CID 30362483

IUPAC2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCc2ccccc21
InChIInChI=1S/C24H23FN4O/c25-20-7-5-17(6-8-20)21-9-10-23(27-26-21)28-14-11-19(12-15-28)24(30)29-16-13-18-3-1-2-4-22(18)29/h1-10,19H,11-16H2
InChIKeyIPUCJHWFXGMTNZ-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.09
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 30362483) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone
PubChem CID30362483
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCc2ccccc21
InChIInChI=1S/C24H23FN4O/c25-20-7-5-17(6-8-20)21-9-10-23(27-26-21)28-14-11-19(12-15-28)24(30)29-16-13-18-3-1-2-4-22(18)29/h1-10,19H,11-16H2
InChIKeyIPUCJHWFXGMTNZ-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 30362483) is 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is IPUCJHWFXGMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-20-7-5-17(6-8-20)21-9-10-23(27-26-21)28-14-11-19(12-15-28)24(30)29-16-13-18-3-1-2-4-22(18)29/h1-10,19H,11-16H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 402.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 30362483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).