1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone

C27H26FN3O — CID 18715265

IUPAC1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESCc1cc2c(cc1F)C(=C1CCN(C(=O)Cc3ccncc3)CC1)c1ncccc1CC2
InChIInChI=1S/C27H26FN3O/c1-18-15-22-5-4-21-3-2-10-30-27(21)26(23(22)17-24(18)28)20-8-13-31(14-9-20)25(32)16-19-6-11-29-12-7-19/h2-3,6-7,10-12,15,17H,4-5,8-9,13-14,16H2,1H3
InChIKeyAGZKSKQRUMLTQX-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.69
Rot. Bonds2

About 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone

1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 18715265) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID18715265
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESCc1cc2c(cc1F)C(=C1CCN(C(=O)Cc3ccncc3)CC1)c1ncccc1CC2
InChIInChI=1S/C27H26FN3O/c1-18-15-22-5-4-21-3-2-10-30-27(21)26(23(22)17-24(18)28)20-8-13-31(14-9-20)25(32)16-19-6-11-29-12-7-19/h2-3,6-7,10-12,15,17H,4-5,8-9,13-14,16H2,1H3
InChIKeyAGZKSKQRUMLTQX-UHFFFAOYSA-N
XLogP4.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone (CID 18715265) is 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone is Cc1cc2c(cc1F)C(=C1CCN(C(=O)Cc3ccncc3)CC1)c1ncccc1CC2.
What is the InChIKey of 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is AGZKSKQRUMLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c1-18-15-22-5-4-21-3-2-10-30-27(21)26(23(22)17-24(18)28)20-8-13-31(14-9-20)25(32)16-19-6-11-29-12-7-19/h2-3,6-7,10-12,15,17H,4-5,8-9,13-14,16H2,1H3.
What are the key properties of 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 427.52 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 18715265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).