[4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

C29H29FN4O2 — CID 71198844

IUPAC[4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCN(CC(O)CCc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C29H29FN4O2/c30-21-9-11-24-20(16-21)17-27(31-24)29(36)34-14-12-33(13-15-34)18-22(35)10-8-19-4-3-7-26-28(19)23-5-1-2-6-25(23)32-26/h1-7,9,11,16-17,22,31-32,35H,8,10,12-15,18H2
InChIKeyLNIWJKRFTVFLFK-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.69
Rot. Bonds6

About [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

[4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 71198844) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID71198844
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Name[4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCN(CC(O)CCc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C29H29FN4O2/c30-21-9-11-24-20(16-21)17-27(31-24)29(36)34-14-12-33(13-15-34)18-22(35)10-8-19-4-3-7-26-28(19)23-5-1-2-6-25(23)32-26/h1-7,9,11,16-17,22,31-32,35H,8,10,12-15,18H2
InChIKeyLNIWJKRFTVFLFK-UHFFFAOYSA-N
XLogP4.69
TPSA75.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-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-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 71198844) is [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(CC(O)CCc2cccc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is LNIWJKRFTVFLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c30-21-9-11-24-20(16-21)17-27(31-24)29(36)34-14-12-33(13-15-34)18-22(35)10-8-19-4-3-7-26-28(19)23-5-1-2-6-25(23)32-26/h1-7,9,11,16-17,22,31-32,35H,8,10,12-15,18H2.
What are the key properties of [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
[4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 484.58 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(9H-carbazol-4-yl)-2-hydroxybutyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 71198844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).