6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one

C26H25FN6O3 — CID 73387872

IUPAC6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
SMILESCOc1cnc2c(NCCn3nc(-n4cc(CCCO)c5ccc(F)cc54)ccc3=O)ccnc2c1
InChIInChI=1S/C26H25FN6O3/c1-36-19-14-22-26(30-15-19)21(8-9-28-22)29-10-11-33-25(35)7-6-24(31-33)32-16-17(3-2-12-34)20-5-4-18(27)13-23(20)32/h4-9,13-16,34H,2-3,10-12H2,1H3,(H,28,29)
InChIKeyZBIBJEMAQVXQHN-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.32
Rot. Bonds9

About 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one

6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one (PubChem CID 73387872) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
PubChem CID73387872
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one
SMILESCOc1cnc2c(NCCn3nc(-n4cc(CCCO)c5ccc(F)cc54)ccc3=O)ccnc2c1
InChIInChI=1S/C26H25FN6O3/c1-36-19-14-22-26(30-15-19)21(8-9-28-22)29-10-11-33-25(35)7-6-24(31-33)32-16-17(3-2-12-34)20-5-4-18(27)13-23(20)32/h4-9,13-16,34H,2-3,10-12H2,1H3,(H,28,29)
InChIKeyZBIBJEMAQVXQHN-UHFFFAOYSA-N
XLogP3.32
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
The IUPAC name of 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one (CID 73387872) is 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
The canonical SMILES for 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one is COc1cnc2c(NCCn3nc(-n4cc(CCCO)c5ccc(F)cc54)ccc3=O)ccnc2c1.
What is the InChIKey of 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
The InChIKey is ZBIBJEMAQVXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-36-19-14-22-26(30-15-19)21(8-9-28-22)29-10-11-33-25(35)7-6-24(31-33)32-16-17(3-2-12-34)20-5-4-18(27)13-23(20)32/h4-9,13-16,34H,2-3,10-12H2,1H3,(H,28,29).
What are the key properties of 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one?
6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one has a molecular weight of 488.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-3-(3-hydroxypropyl)indol-1-yl]-2-[2-[(7-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]pyridazin-3-one is sourced from PubChem (CID 73387872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).