4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one

C26H23FN6O2 — CID 66823546

IUPAC4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one
SMILESO=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(c3ncccn3)C(=O)C2)C1
InChIInChI=1S/C26H23FN6O2/c27-20-3-5-21(6-4-20)32-11-8-18-14-19(2-7-23(18)32)25(35)31-15-22(16-31)30-12-13-33(24(34)17-30)26-28-9-1-10-29-26/h1-11,14,22H,12-13,15-17H2
InChIKeyOCIZOKACENCSMN-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.73
Rot. Bonds4

About 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one

4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one (PubChem CID 66823546) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one
PubChem CID66823546
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one
SMILESO=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(c3ncccn3)C(=O)C2)C1
InChIInChI=1S/C26H23FN6O2/c27-20-3-5-21(6-4-20)32-11-8-18-14-19(2-7-23(18)32)25(35)31-15-22(16-31)30-12-13-33(24(34)17-30)26-28-9-1-10-29-26/h1-11,14,22H,12-13,15-17H2
InChIKeyOCIZOKACENCSMN-UHFFFAOYSA-N
XLogP2.73
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one?
The IUPAC name of 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one (CID 66823546) is 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one?
The canonical SMILES for 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one is O=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(c3ncccn3)C(=O)C2)C1.
What is the InChIKey of 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one?
The InChIKey is OCIZOKACENCSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-20-3-5-21(6-4-20)32-11-8-18-14-19(2-7-23(18)32)25(35)31-15-22(16-31)30-12-13-33(24(34)17-30)26-28-9-1-10-29-26/h1-11,14,22H,12-13,15-17H2.
What are the key properties of 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one?
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one has a molecular weight of 470.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one is sourced from PubChem (CID 66823546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).