N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide

C35H37FN4O2 — CID 22640125

IUPACN-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide
SMILESCOc1cccc(N2CCN(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)CC2)n1
InChIInChI=1S/C35H37FN4O2/c1-42-33-14-8-13-32(38-33)40-23-21-39(22-24-40)20-7-6-19-35(34(41)37-25-26-15-17-27(36)18-16-26)30-11-4-2-9-28(30)29-10-3-5-12-31(29)35/h2-5,8-18H,6-7,19-25H2,1H3,(H,37,41)
InChIKeyYESRUXVVMGOHAC-UHFFFAOYSA-N
MW564.71 g/mol
LogP5.80
Rot. Bonds10

About N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide

N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide (PubChem CID 22640125) has the molecular formula C35H37FN4O2 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide
PubChem CID22640125
Molecular FormulaC35H37FN4O2
Molecular Weight564.71 g/mol
Exact Mass564.29
IUPAC NameN-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide
SMILESCOc1cccc(N2CCN(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)CC2)n1
InChIInChI=1S/C35H37FN4O2/c1-42-33-14-8-13-32(38-33)40-23-21-39(22-24-40)20-7-6-19-35(34(41)37-25-26-15-17-27(36)18-16-26)30-11-4-2-9-28(30)29-10-3-5-12-31(29)35/h2-5,8-18H,6-7,19-25H2,1H3,(H,37,41)
InChIKeyYESRUXVVMGOHAC-UHFFFAOYSA-N
XLogP5.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide 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-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide (CID 22640125) is N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide is COc1cccc(N2CCN(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?
The InChIKey is YESRUXVVMGOHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN4O2/c1-42-33-14-8-13-32(38-33)40-23-21-39(22-24-40)20-7-6-19-35(34(41)37-25-26-15-17-27(36)18-16-26)30-11-4-2-9-28(30)29-10-3-5-12-31(29)35/h2-5,8-18H,6-7,19-25H2,1H3,(H,37,41).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?
N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide has a molecular weight of 564.71 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide is sourced from PubChem (CID 22640125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).