4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

C23H25FN4O2 — CID 137275996

IUPAC4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCC(OCc4ccc(F)cc4)CC3)nc2)n1
InChIInChI=1S/C23H25FN4O2/c1-2-19-13-22(29)27-23(26-19)17-5-8-21(25-14-17)28-11-9-20(10-12-28)30-15-16-3-6-18(24)7-4-16/h3-8,13-14,20H,2,9-12,15H2,1H3,(H,26,27,29)
InChIKeyKBKFLZORXXVXHX-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.72
Rot. Bonds6

About 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137275996) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137275996
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCC(OCc4ccc(F)cc4)CC3)nc2)n1
InChIInChI=1S/C23H25FN4O2/c1-2-19-13-22(29)27-23(26-19)17-5-8-21(25-14-17)28-11-9-20(10-12-28)30-15-16-3-6-18(24)7-4-16/h3-8,13-14,20H,2,9-12,15H2,1H3,(H,26,27,29)
InChIKeyKBKFLZORXXVXHX-UHFFFAOYSA-N
XLogP3.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137275996) is 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCC(OCc4ccc(F)cc4)CC3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is KBKFLZORXXVXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-2-19-13-22(29)27-23(26-19)17-5-8-21(25-14-17)28-11-9-20(10-12-28)30-15-16-3-6-18(24)7-4-16/h3-8,13-14,20H,2,9-12,15H2,1H3,(H,26,27,29).
What are the key properties of 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 408.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137275996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).