2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol

C20H21FN4O2 — CID 174238230

IUPAC2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol
SMILESCc1cc(O)c(-c2nnc(NC3COC(C)(C)C3)c3cnccc23)c(F)c1
InChIInChI=1S/C20H21FN4O2/c1-11-6-15(21)17(16(26)7-11)18-13-4-5-22-9-14(13)19(25-24-18)23-12-8-20(2,3)27-10-12/h4-7,9,12,26H,8,10H2,1-3H3,(H,23,25)
InChIKeyGIHODBPDGFFYBK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.82
Rot. Bonds3

About 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol

2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol (PubChem CID 174238230) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol.

Molecular Properties

Compound Name2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol
PubChem CID174238230
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol
SMILESCc1cc(O)c(-c2nnc(NC3COC(C)(C)C3)c3cnccc23)c(F)c1
InChIInChI=1S/C20H21FN4O2/c1-11-6-15(21)17(16(26)7-11)18-13-4-5-22-9-14(13)19(25-24-18)23-12-8-20(2,3)27-10-12/h4-7,9,12,26H,8,10H2,1-3H3,(H,23,25)
InChIKeyGIHODBPDGFFYBK-UHFFFAOYSA-N
XLogP3.82
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol?
The IUPAC name of 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol (CID 174238230) is 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol.
What is the SMILES notation for 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol?
The canonical SMILES for 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol is Cc1cc(O)c(-c2nnc(NC3COC(C)(C)C3)c3cnccc23)c(F)c1.
What is the InChIKey of 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol?
The InChIKey is GIHODBPDGFFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-11-6-15(21)17(16(26)7-11)18-13-4-5-22-9-14(13)19(25-24-18)23-12-8-20(2,3)27-10-12/h4-7,9,12,26H,8,10H2,1-3H3,(H,23,25).
What are the key properties of 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol?
2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol has a molecular weight of 368.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,5-dimethyloxolan-3-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-3-fluoro-5-methylphenol is sourced from PubChem (CID 174238230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).