1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole

C24H23FN4 — CID 52942395

IUPAC1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1
InChIInChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3
InChIKeyWAWSGWZTHJAPIA-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.04
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole

1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole (PubChem CID 52942395) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole
PubChem CID52942395
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1
InChIInChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3
InChIKeyWAWSGWZTHJAPIA-UHFFFAOYSA-N
XLogP5.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole (CID 52942395) is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole is CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole?
The InChIKey is WAWSGWZTHJAPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole?
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyrimidin-5-ylindole has a molecular weight of 386.47 g/mol, XLogP of 5.04, 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-pyrimidin-5-ylindole is sourced from PubChem (CID 52942395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).