2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine

C19H20FN5O — CID 133330395

IUPAC2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
SMILESCc1ccn(-c2ccc(N3CC(C)OC(c4ccc(F)cc4)C3)nn2)n1
InChIInChI=1S/C19H20FN5O/c1-13-9-10-25(23-13)19-8-7-18(21-22-19)24-11-14(2)26-17(12-24)15-3-5-16(20)6-4-15/h3-10,14,17H,11-12H2,1-2H3
InChIKeyUMLMBSFERGONRI-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.08
Rot. Bonds3

About 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine

2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine (PubChem CID 133330395) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
PubChem CID133330395
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
SMILESCc1ccn(-c2ccc(N3CC(C)OC(c4ccc(F)cc4)C3)nn2)n1
InChIInChI=1S/C19H20FN5O/c1-13-9-10-25(23-13)19-8-7-18(21-22-19)24-11-14(2)26-17(12-24)15-3-5-16(20)6-4-15/h3-10,14,17H,11-12H2,1-2H3
InChIKeyUMLMBSFERGONRI-UHFFFAOYSA-N
XLogP3.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542
3-(3-fluoro-2,5-dihydropyrrol-1-yl)-6-(3-methylpyrazol-1-yl)pyridazine
CID 166313785
6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 133422395
2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
CID 133330519
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
CID 133330522
2-methyl-6-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 47983394
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine (CID 133330395) is 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine is Cc1ccn(-c2ccc(N3CC(C)OC(c4ccc(F)cc4)C3)nn2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The InChIKey is UMLMBSFERGONRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13-9-10-25(23-13)19-8-7-18(21-22-19)24-11-14(2)26-17(12-24)15-3-5-16(20)6-4-15/h3-10,14,17H,11-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine has a molecular weight of 353.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 133330395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).