1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole

C24H25FN4 — CID 71508683

IUPAC1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnn(C)c4)cc23)CC1
InChIInChI=1S/C24H25FN4/c1-27-11-9-17(10-12-27)23-16-29(21-6-4-20(25)5-7-21)24-8-3-18(13-22(23)24)19-14-26-28(2)15-19/h3-8,13-17H,9-12H2,1-2H3
InChIKeyBVLYMIHOEUYZBL-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.98
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole

1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole (PubChem CID 71508683) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
PubChem CID71508683
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnn(C)c4)cc23)CC1
InChIInChI=1S/C24H25FN4/c1-27-11-9-17(10-12-27)23-16-29(21-6-4-20(25)5-7-21)24-8-3-18(13-22(23)24)19-14-26-28(2)15-19/h3-8,13-17H,9-12H2,1-2H3
InChIKeyBVLYMIHOEUYZBL-UHFFFAOYSA-N
XLogP4.98
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole 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 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole (CID 71508683) is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole is CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnn(C)c4)cc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole?
The InChIKey is BVLYMIHOEUYZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4/c1-27-11-9-17(10-12-27)23-16-29(21-6-4-20(25)5-7-21)24-8-3-18(13-22(23)24)19-14-26-28(2)15-19/h3-8,13-17H,9-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole?
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole has a molecular weight of 388.49 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)indole is sourced from PubChem (CID 71508683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).