6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one

C25H24F3N5O4 — CID 176774333

IUPAC6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one
SMILESCOc1nc2c(C(=O)N3CCC(F)CC3)nn(-c3ccc4c(cc(C)n4C)c3F)c(=O)c2cc1OCF
InChIInChI=1S/C25H24F3N5O4/c1-13-10-15-17(31(13)2)4-5-18(20(15)28)33-24(34)16-11-19(37-12-26)23(36-3)29-21(16)22(30-33)25(35)32-8-6-14(27)7-9-32/h4-5,10-11,14H,6-9,12H2,1-3H3
InChIKeyXAYZSFBHKKBJGC-UHFFFAOYSA-N
MW515.49 g/mol
LogP3.61
Rot. Bonds5

About 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one

6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one (PubChem CID 176774333) has the molecular formula C25H24F3N5O4 and a molecular weight of 515.49 g/mol. Its IUPAC name is 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one
PubChem CID176774333
Molecular FormulaC25H24F3N5O4
Molecular Weight515.49 g/mol
Exact Mass515.18
IUPAC Name6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one
SMILESCOc1nc2c(C(=O)N3CCC(F)CC3)nn(-c3ccc4c(cc(C)n4C)c3F)c(=O)c2cc1OCF
InChIInChI=1S/C25H24F3N5O4/c1-13-10-15-17(31(13)2)4-5-18(20(15)28)33-24(34)16-11-19(37-12-26)23(36-3)29-21(16)22(30-33)25(35)32-8-6-14(27)7-9-32/h4-5,10-11,14H,6-9,12H2,1-3H3
InChIKeyXAYZSFBHKKBJGC-UHFFFAOYSA-N
XLogP3.61
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one (CID 176774333) is 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one is COc1nc2c(C(=O)N3CCC(F)CC3)nn(-c3ccc4c(cc(C)n4C)c3F)c(=O)c2cc1OCF.
What is the InChIKey of 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one?
The InChIKey is XAYZSFBHKKBJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O4/c1-13-10-15-17(31(13)2)4-5-18(20(15)28)33-24(34)16-11-19(37-12-26)23(36-3)29-21(16)22(30-33)25(35)32-8-6-14(27)7-9-32/h4-5,10-11,14H,6-9,12H2,1-3H3.
What are the key properties of 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one?
6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one has a molecular weight of 515.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 176774333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).