(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone

C24H24FN3O — CID 58485453

IUPAC(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)c2c1-c1ccccc1CC2
InChIInChI=1S/C24H24FN3O/c1-27-23-20-7-3-2-5-16(20)10-13-21(23)22(26-27)18-6-4-14-28(15-18)24(29)17-8-11-19(25)12-9-17/h2-3,5,7-9,11-12,18H,4,6,10,13-15H2,1H3
InChIKeyJZZMCTDIJIRMFN-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.34
Rot. Bonds2

About (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone (PubChem CID 58485453) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone
PubChem CID58485453
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)c2c1-c1ccccc1CC2
InChIInChI=1S/C24H24FN3O/c1-27-23-20-7-3-2-5-16(20)10-13-21(23)22(26-27)18-6-4-14-28(15-18)24(29)17-8-11-19(25)12-9-17/h2-3,5,7-9,11-12,18H,4,6,10,13-15H2,1H3
InChIKeyJZZMCTDIJIRMFN-UHFFFAOYSA-N
XLogP4.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone 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 (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone (CID 58485453) is (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone is Cn1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)c2c1-c1ccccc1CC2.
What is the InChIKey of (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is JZZMCTDIJIRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-27-23-20-7-3-2-5-16(20)10-13-21(23)22(26-27)18-6-4-14-28(15-18)24(29)17-8-11-19(25)12-9-17/h2-3,5,7-9,11-12,18H,4,6,10,13-15H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 389.47 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 58485453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).