4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C26H28FN5O2 — CID 67679530

IUPAC4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(F)c2)CC(C)(C)N1
InChIInChI=1S/C26H28FN5O2/c1-25(2)11-18(12-26(3,4)32-25)31-24(33)16-8-9-23(21(27)10-16)34-22-7-5-6-19(20(22)13-28)17-14-29-30-15-17/h5-10,14-15,18,32H,11-12H2,1-4H3,(H,29,30)(H,31,33)
InChIKeyJZHXOBDSCUSBGY-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.92
Rot. Bonds5

About 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679530) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679530
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(F)c2)CC(C)(C)N1
InChIInChI=1S/C26H28FN5O2/c1-25(2)11-18(12-26(3,4)32-25)31-24(33)16-8-9-23(21(27)10-16)34-22-7-5-6-19(20(22)13-28)17-14-29-30-15-17/h5-10,14-15,18,32H,11-12H2,1-4H3,(H,29,30)(H,31,33)
InChIKeyJZHXOBDSCUSBGY-UHFFFAOYSA-N
XLogP4.92
TPSA102.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
CID 123958726
3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679605
4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678986
3-chloro-4-[2-cyano-3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123404581
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679263
3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679152
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-2-carboxylate
CID 67679627
3-chloro-4-[2-cyano-3-(2-piperazin-1-ylpyrimidin-5-yl)phenoxy]-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 67679497
3-chloro-4-[2-cyano-3-(2-methoxy-4-pyridinyl)phenoxy]-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 123918769
3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
CID 67679317

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679530) is 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(F)c2)CC(C)(C)N1.
What is the InChIKey of 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is JZHXOBDSCUSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-25(2)11-18(12-26(3,4)32-25)31-24(33)16-8-9-23(21(27)10-16)34-22-7-5-6-19(20(22)13-28)17-14-29-30-15-17/h5-10,14-15,18,32H,11-12H2,1-4H3,(H,29,30)(H,31,33).
What are the key properties of 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).