5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

C26H24F3N5O3 — CID 130319037

IUPAC5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESC=C1N(c2cnc(C#N)c(C(F)(F)F)c2)C(=O)C2(CCC2)N1c1ccc(OC2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C26H24F3N5O3/c1-16-33(18-12-21(26(27,28)29)22(14-30)31-15-18)24(36)25(9-3-10-25)34(16)17-4-6-19(7-5-17)37-20-8-11-32(2)23(35)13-20/h4-7,12,15,20H,1,3,8-11,13H2,2H3
InChIKeyWLPXVAUAVVBGLP-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.22
Rot. Bonds4

About 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130319037) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130319037
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESC=C1N(c2cnc(C#N)c(C(F)(F)F)c2)C(=O)C2(CCC2)N1c1ccc(OC2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C26H24F3N5O3/c1-16-33(18-12-21(26(27,28)29)22(14-30)31-15-18)24(36)25(9-3-10-25)34(16)17-4-6-19(7-5-17)37-20-8-11-32(2)23(35)13-20/h4-7,12,15,20H,1,3,8-11,13H2,2H3
InChIKeyWLPXVAUAVVBGLP-UHFFFAOYSA-N
XLogP4.22
TPSA89.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 130319037) is 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is C=C1N(c2cnc(C#N)c(C(F)(F)F)c2)C(=O)C2(CCC2)N1c1ccc(OC2CCN(C)C(=O)C2)cc1.
What is the InChIKey of 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is WLPXVAUAVVBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-16-33(18-12-21(26(27,28)29)22(14-30)31-15-18)24(36)25(9-3-10-25)34(16)17-4-6-19(7-5-17)37-20-8-11-32(2)23(35)13-20/h4-7,12,15,20H,1,3,8-11,13H2,2H3.
What are the key properties of 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 511.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methylidene-5-[4-(1-methyl-2-oxopiperidin-4-yl)oxyphenyl]-8-oxo-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130319037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).