2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol

C25H25FN4O — CID 44565045

IUPAC2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C25H25FN4O/c26-20-4-1-18(2-5-20)25-24(22-7-10-27-16-28-22)21-6-3-19(15-23(21)29-25)17-8-11-30(12-9-17)13-14-31/h1-7,10,15-17,29,31H,8-9,11-14H2
InChIKeyBCYXFERZFSAFEC-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.60
Rot. Bonds5

About 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol

2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol (PubChem CID 44565045) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
PubChem CID44565045
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C25H25FN4O/c26-20-4-1-18(2-5-20)25-24(22-7-10-27-16-28-22)21-6-3-19(15-23(21)29-25)17-8-11-30(12-9-17)13-14-31/h1-7,10,15-17,29,31H,8-9,11-14H2
InChIKeyBCYXFERZFSAFEC-UHFFFAOYSA-N
XLogP4.60
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol (CID 44565045) is 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol is OCCN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
The InChIKey is BCYXFERZFSAFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-20-4-1-18(2-5-20)25-24(22-7-10-27-16-28-22)21-6-3-19(15-23(21)29-25)17-8-11-30(12-9-17)13-14-31/h1-7,10,15-17,29,31H,8-9,11-14H2.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol?
2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol has a molecular weight of 416.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-1H-indol-6-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 44565045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).