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

C26H32FN5O2 — CID 137465087

IUPAC5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one
SMILESCC1C(N(CCF)c2ccc(-c3ccc(-c4ccc(=O)[nH]c4)cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C26H32FN5O2/c1-17-22(11-13-31(4)26(17,2)3)32(14-12-27)24-9-8-21(29-30-24)20-7-5-18(15-23(20)33)19-6-10-25(34)28-16-19/h5-10,15-17,22,33H,11-14H2,1-4H3,(H,28,34)
InChIKeyYMYQMQDFVQRCHX-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.10
Rot. Bonds6

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

5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one (PubChem CID 137465087) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one
PubChem CID137465087
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one
SMILESCC1C(N(CCF)c2ccc(-c3ccc(-c4ccc(=O)[nH]c4)cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C26H32FN5O2/c1-17-22(11-13-31(4)26(17,2)3)32(14-12-27)24-9-8-21(29-30-24)20-7-5-18(15-23(20)33)19-6-10-25(34)28-16-19/h5-10,15-17,22,33H,11-14H2,1-4H3,(H,28,34)
InChIKeyYMYQMQDFVQRCHX-UHFFFAOYSA-N
XLogP4.10
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one (CID 137465087) is 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one is CC1C(N(CCF)c2ccc(-c3ccc(-c4ccc(=O)[nH]c4)cc3O)nn2)CCN(C)C1(C)C.
What is the InChIKey of 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
The InChIKey is YMYQMQDFVQRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-17-22(11-13-31(4)26(17,2)3)32(14-12-27)24-9-8-21(29-30-24)20-7-5-18(15-23(20)33)19-6-10-25(34)28-16-19/h5-10,15-17,22,33H,11-14H2,1-4H3,(H,28,34).
What are the key properties of 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one has a molecular weight of 465.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[2-fluoroethyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 137465087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).