5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one

C25H33FN6O2 — CID 155423112

IUPAC5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1(C)CC(N(CCF)c2ccc(-c3ccc(C4=CNC(=O)NC4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C25H33FN6O2/c1-24(2)12-18(13-25(3,4)31-24)32(10-9-26)22-8-7-20(29-30-22)19-6-5-16(11-21(19)33)17-14-27-23(34)28-15-17/h5-8,11,14,18,31,33H,9-10,12-13,15H2,1-4H3,(H2,27,28,34)
InChIKeyQOMURUPCZFQHSO-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.59
Rot. Bonds6

About 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one

5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 155423112) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID155423112
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1(C)CC(N(CCF)c2ccc(-c3ccc(C4=CNC(=O)NC4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C25H33FN6O2/c1-24(2)12-18(13-25(3,4)31-24)32(10-9-26)22-8-7-20(29-30-22)19-6-5-16(11-21(19)33)17-14-27-23(34)28-15-17/h5-8,11,14,18,31,33H,9-10,12-13,15H2,1-4H3,(H2,27,28,34)
InChIKeyQOMURUPCZFQHSO-UHFFFAOYSA-N
XLogP3.59
TPSA102.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 155423112) is 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one is CC1(C)CC(N(CCF)c2ccc(-c3ccc(C4=CNC(=O)NC4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is QOMURUPCZFQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O2/c1-24(2)12-18(13-25(3,4)31-24)32(10-9-26)22-8-7-20(29-30-22)19-6-5-16(11-21(19)33)17-14-27-23(34)28-15-17/h5-8,11,14,18,31,33H,9-10,12-13,15H2,1-4H3,(H2,27,28,34).
What are the key properties of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one?
5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 468.58 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 155423112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).