(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C26H25Cl2FN4O — CID 18834658

IUPAC(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1(C)C2CCC1(C(=O)N1CCN(c3ccccc3F)CC1)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C26H25Cl2FN4O/c1-25(2)15-7-8-26(25,23-22(15)30-19-13-16(27)17(28)14-20(19)31-23)24(34)33-11-9-32(10-12-33)21-6-4-3-5-18(21)29/h3-6,13-15H,7-12H2,1-2H3
InChIKeyZPUVDBFPDJMPOU-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.58
Rot. Bonds2

About (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 18834658) has the molecular formula C26H25Cl2FN4O and a molecular weight of 499.42 g/mol. Its IUPAC name is (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID18834658
Molecular FormulaC26H25Cl2FN4O
Molecular Weight499.42 g/mol
Exact Mass498.14
IUPAC Name(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1(C)C2CCC1(C(=O)N1CCN(c3ccccc3F)CC1)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C26H25Cl2FN4O/c1-25(2)15-7-8-26(25,23-22(15)30-19-13-16(27)17(28)14-20(19)31-23)24(34)33-11-9-32(10-12-33)21-6-4-3-5-18(21)29/h3-6,13-15H,7-12H2,1-2H3
InChIKeyZPUVDBFPDJMPOU-UHFFFAOYSA-N
XLogP5.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 18834658) is (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CC1(C)C2CCC1(C(=O)N1CCN(c3ccccc3F)CC1)c1nc3cc(Cl)c(Cl)cc3nc12.
What is the InChIKey of (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZPUVDBFPDJMPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2FN4O/c1-25(2)15-7-8-26(25,23-22(15)30-19-13-16(27)17(28)14-20(19)31-23)24(34)33-11-9-32(10-12-33)21-6-4-3-5-18(21)29/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 499.42 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18834658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).