4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol

C19H18FN5O2 — CID 167504228

IUPAC4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol
SMILESCOc1cc(-c2cc(O)c(-c3ccc(N4CCCC4)nn3)cc2F)cnn1
InChIInChI=1S/C19H18FN5O2/c1-27-19-8-12(11-21-24-19)13-10-17(26)14(9-15(13)20)16-4-5-18(23-22-16)25-6-2-3-7-25/h4-5,8-11,26H,2-3,6-7H2,1H3
InChIKeyYHEXABGDEGNQMZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.05
Rot. Bonds4

About 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol

4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol (PubChem CID 167504228) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol
PubChem CID167504228
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol
SMILESCOc1cc(-c2cc(O)c(-c3ccc(N4CCCC4)nn3)cc2F)cnn1
InChIInChI=1S/C19H18FN5O2/c1-27-19-8-12(11-21-24-19)13-10-17(26)14(9-15(13)20)16-4-5-18(23-22-16)25-6-2-3-7-25/h4-5,8-11,26H,2-3,6-7H2,1H3
InChIKeyYHEXABGDEGNQMZ-UHFFFAOYSA-N
XLogP3.05
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol?
The IUPAC name of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol (CID 167504228) is 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol.
What is the SMILES notation for 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol?
The canonical SMILES for 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol is COc1cc(-c2cc(O)c(-c3ccc(N4CCCC4)nn3)cc2F)cnn1.
What is the InChIKey of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol?
The InChIKey is YHEXABGDEGNQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-27-19-8-12(11-21-24-19)13-10-17(26)14(9-15(13)20)16-4-5-18(23-22-16)25-6-2-3-7-25/h4-5,8-11,26H,2-3,6-7H2,1H3.
What are the key properties of 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol?
4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol has a molecular weight of 367.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(6-methoxypyridazin-4-yl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)phenol is sourced from PubChem (CID 167504228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).