N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C24H30ClFN4 — CID 168795105

IUPACN-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESFc1ccc(Cl)c(-c2ccc(NC3CC4CN(C5CCCCCC5)CC4C3)nn2)c1
InChIInChI=1S/C24H30ClFN4/c25-22-8-7-18(26)13-21(22)23-9-10-24(29-28-23)27-19-11-16-14-30(15-17(16)12-19)20-5-3-1-2-4-6-20/h7-10,13,16-17,19-20H,1-6,11-12,14-15H2,(H,27,29)
InChIKeyZJFUAKVFAHGUQX-UHFFFAOYSA-N
MW428.98 g/mol
LogP5.78
Rot. Bonds4

About N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 168795105) has the molecular formula C24H30ClFN4 and a molecular weight of 428.98 g/mol. Its IUPAC name is N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID168795105
Molecular FormulaC24H30ClFN4
Molecular Weight428.98 g/mol
Exact Mass428.21
IUPAC NameN-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESFc1ccc(Cl)c(-c2ccc(NC3CC4CN(C5CCCCCC5)CC4C3)nn2)c1
InChIInChI=1S/C24H30ClFN4/c25-22-8-7-18(26)13-21(22)23-9-10-24(29-28-23)27-19-11-16-14-30(15-17(16)12-19)20-5-3-1-2-4-6-20/h7-10,13,16-17,19-20H,1-6,11-12,14-15H2,(H,27,29)
InChIKeyZJFUAKVFAHGUQX-UHFFFAOYSA-N
XLogP5.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.98
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine 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 N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 168795105) is N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is Fc1ccc(Cl)c(-c2ccc(NC3CC4CN(C5CCCCCC5)CC4C3)nn2)c1.
What is the InChIKey of N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is ZJFUAKVFAHGUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN4/c25-22-8-7-18(26)13-21(22)23-9-10-24(29-28-23)27-19-11-16-14-30(15-17(16)12-19)20-5-3-1-2-4-6-20/h7-10,13,16-17,19-20H,1-6,11-12,14-15H2,(H,27,29).
What are the key properties of N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 428.98 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]-2-cycloheptyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 168795105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).