2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one

C20H16ClFN4O2 — CID 144581255

IUPAC2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one
SMILESCc1cn(-c2ccc(=O)n(CCOc3ccnc(Cl)c3)n2)c2cc(F)ccc12
InChIInChI=1S/C20H16ClFN4O2/c1-13-12-25(17-10-14(22)2-3-16(13)17)19-4-5-20(27)26(24-19)8-9-28-15-6-7-23-18(21)11-15/h2-7,10-12H,8-9H2,1H3
InChIKeyDCGPBDVFQRNDEP-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one

2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one (PubChem CID 144581255) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one
PubChem CID144581255
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC Name2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one
SMILESCc1cn(-c2ccc(=O)n(CCOc3ccnc(Cl)c3)n2)c2cc(F)ccc12
InChIInChI=1S/C20H16ClFN4O2/c1-13-12-25(17-10-14(22)2-3-16(13)17)19-4-5-20(27)26(24-19)8-9-28-15-6-7-23-18(21)11-15/h2-7,10-12H,8-9H2,1H3
InChIKeyDCGPBDVFQRNDEP-UHFFFAOYSA-N
XLogP3.76
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one (CID 144581255) is 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one is Cc1cn(-c2ccc(=O)n(CCOc3ccnc(Cl)c3)n2)c2cc(F)ccc12.
What is the InChIKey of 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one?
The InChIKey is DCGPBDVFQRNDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c1-13-12-25(17-10-14(22)2-3-16(13)17)19-4-5-20(27)26(24-19)8-9-28-15-6-7-23-18(21)11-15/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one?
2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one has a molecular weight of 398.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one is sourced from PubChem (CID 144581255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).