2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole

C24H23FN4 — CID 44564997

IUPAC2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole
SMILESCN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C24H23FN4/c1-29-12-9-16(10-13-29)18-4-7-20-22(14-18)28-24(17-2-5-19(25)6-3-17)23(20)21-8-11-26-15-27-21/h2-8,11,14-16,28H,9-10,12-13H2,1H3
InChIKeyPPFKDEGTPWMWRB-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.24
Rot. Bonds3

About 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole

2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole (PubChem CID 44564997) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole
PubChem CID44564997
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole
SMILESCN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C24H23FN4/c1-29-12-9-16(10-13-29)18-4-7-20-22(14-18)28-24(17-2-5-19(25)6-3-17)23(20)21-8-11-26-15-27-21/h2-8,11,14-16,28H,9-10,12-13H2,1H3
InChIKeyPPFKDEGTPWMWRB-UHFFFAOYSA-N
XLogP5.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole?
The IUPAC name of 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole (CID 44564997) is 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole?
The canonical SMILES for 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole is CN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole?
The InChIKey is PPFKDEGTPWMWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-29-12-9-16(10-13-29)18-4-7-20-22(14-18)28-24(17-2-5-19(25)6-3-17)23(20)21-8-11-26-15-27-21/h2-8,11,14-16,28H,9-10,12-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole?
2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole has a molecular weight of 386.47 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-pyrimidin-4-yl-1H-indole is sourced from PubChem (CID 44564997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).