2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile

C22H21F2N3 — CID 70619119

IUPAC2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile
SMILESN#CC(CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
InChIInChI=1S/C22H21F2N3/c23-17-5-3-15(4-6-17)16(13-25)2-1-10-27-11-9-22-20(14-27)19-12-18(24)7-8-21(19)26-22/h3-8,12,16,26H,1-2,9-11,14H2
InChIKeyMFPPRBZSJFCETK-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile

2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile (PubChem CID 70619119) has the molecular formula C22H21F2N3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile
PubChem CID70619119
Molecular FormulaC22H21F2N3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile
SMILESN#CC(CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
InChIInChI=1S/C22H21F2N3/c23-17-5-3-15(4-6-17)16(13-25)2-1-10-27-11-9-22-20(14-27)19-12-18(24)7-8-21(19)26-22/h3-8,12,16,26H,1-2,9-11,14H2
InChIKeyMFPPRBZSJFCETK-UHFFFAOYSA-N
XLogP4.89
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propyl 4-fluorobenzoate
CID 122174311
2-[4-(4-fluorophenoxy)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59083240
1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
CID 56730042
4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 122154149
5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole
CID 122154350
3-[2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 15734854
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098
1-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-pyrrol-1-ylbutan-1-one
CID 125138508
8-fluoro-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 47071855
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
1-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-morpholin-4-ylbutane-1,4-dione
CID 29130808

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile (CID 70619119) is 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile is N#CC(CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile?
The InChIKey is MFPPRBZSJFCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3/c23-17-5-3-15(4-6-17)16(13-25)2-1-10-27-11-9-22-20(14-27)19-12-18(24)7-8-21(19)26-22/h3-8,12,16,26H,1-2,9-11,14H2.
What are the key properties of 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile?
2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile has a molecular weight of 365.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile is sourced from PubChem (CID 70619119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).