11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione

C23H25F2N5O4 — CID 164624773

IUPAC11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CCN(C)CC2)C(=O)N4)c1F
InChIInChI=1S/C23H25F2N5O4/c1-28-7-5-23(6-8-28)15-18-12(10-26-20(15)27-21(23)31)11-30(22(32)29(18)2)19-16(24)13(33-3)9-14(34-4)17(19)25/h9-10H,5-8,11H2,1-4H3,(H,26,27,31)
InChIKeyDKYAEOVZIXOJNP-UHFFFAOYSA-N
MW473.48 g/mol
LogP2.87
Rot. Bonds3

About 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione

11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione (PubChem CID 164624773) has the molecular formula C23H25F2N5O4 and a molecular weight of 473.48 g/mol. Its IUPAC name is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione.

Molecular Properties

Compound Name11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione
PubChem CID164624773
Molecular FormulaC23H25F2N5O4
Molecular Weight473.48 g/mol
Exact Mass473.19
IUPAC Name11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CCN(C)CC2)C(=O)N4)c1F
InChIInChI=1S/C23H25F2N5O4/c1-28-7-5-23(6-8-28)15-18-12(10-26-20(15)27-21(23)31)11-30(22(32)29(18)2)19-16(24)13(33-3)9-14(34-4)17(19)25/h9-10H,5-8,11H2,1-4H3,(H,26,27,31)
InChIKeyDKYAEOVZIXOJNP-UHFFFAOYSA-N
XLogP2.87
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione?
The IUPAC name of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione (CID 164624773) is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione.
What is the SMILES notation for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione?
The canonical SMILES for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione is COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CCN(C)CC2)C(=O)N4)c1F.
What is the InChIKey of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione?
The InChIKey is DKYAEOVZIXOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O4/c1-28-7-5-23(6-8-28)15-18-12(10-26-20(15)27-21(23)31)11-30(22(32)29(18)2)19-16(24)13(33-3)9-14(34-4)17(19)25/h9-10H,5-8,11H2,1-4H3,(H,26,27,31).
What are the key properties of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione?
11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione has a molecular weight of 473.48 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione is sourced from PubChem (CID 164624773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).