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

C23H21FN4 — CID 44564996

IUPAC2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole
SMILESFc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncn2)cc1
InChIInChI=1S/C23H21FN4/c24-18-4-1-16(2-5-18)23-22(20-9-12-26-14-27-20)19-6-3-17(13-21(19)28-23)15-7-10-25-11-8-15/h1-6,9,12-15,25,28H,7-8,10-11H2
InChIKeyPPLHRBRFFFHVTD-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.90
Rot. Bonds3

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

2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole (PubChem CID 44564996) has the molecular formula C23H21FN4 and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole
PubChem CID44564996
Molecular FormulaC23H21FN4
Molecular Weight372.45 g/mol
Exact Mass372.18
IUPAC Name2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole
SMILESFc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncn2)cc1
InChIInChI=1S/C23H21FN4/c24-18-4-1-16(2-5-18)23-22(20-9-12-26-14-27-20)19-6-3-17(13-21(19)28-23)15-7-10-25-11-8-15/h1-6,9,12-15,25,28H,7-8,10-11H2
InChIKeyPPLHRBRFFFHVTD-UHFFFAOYSA-N
XLogP4.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole?
The IUPAC name of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole (CID 44564996) is 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole?
The canonical SMILES for 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole is Fc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole?
The InChIKey is PPLHRBRFFFHVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4/c24-18-4-1-16(2-5-18)23-22(20-9-12-26-14-27-20)19-6-3-17(13-21(19)28-23)15-7-10-25-11-8-15/h1-6,9,12-15,25,28H,7-8,10-11H2.
What are the key properties of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole?
2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole has a molecular weight of 372.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyrimidin-4-yl-1H-indole is sourced from PubChem (CID 44564996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).