3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one

C20H26FN5O — CID 176560435

IUPAC3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
SMILESCCc1ccc([C@@H]2CC[C@H](N3CCN(c4ncc(F)cn4)CC3)C2)[nH]c1=O
InChIInChI=1S/C20H26FN5O/c1-2-14-4-6-18(24-19(14)27)15-3-5-17(11-15)25-7-9-26(10-8-25)20-22-12-16(21)13-23-20/h4,6,12-13,15,17H,2-3,5,7-11H2,1H3,(H,24,27)/t15-,17+/m1/s1
InChIKeyALUTXABIFZIHNB-WBVHZDCISA-N
MW371.46 g/mol
LogP2.32
Rot. Bonds4

About 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one

3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one (PubChem CID 176560435) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
PubChem CID176560435
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
SMILESCCc1ccc([C@@H]2CC[C@H](N3CCN(c4ncc(F)cn4)CC3)C2)[nH]c1=O
InChIInChI=1S/C20H26FN5O/c1-2-14-4-6-18(24-19(14)27)15-3-5-17(11-15)25-7-9-26(10-8-25)20-22-12-16(21)13-23-20/h4,6,12-13,15,17H,2-3,5,7-11H2,1H3,(H,24,27)/t15-,17+/m1/s1
InChIKeyALUTXABIFZIHNB-WBVHZDCISA-N
XLogP2.32
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-6-[(1R,3R)-3-[4-[5-[(methylideneamino)methyl]pyrimidin-2-yl]piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
CID 176560639
5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
CID 176560476
N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560384
6-[(1R,3S)-3-[4-[6-[amino-[[(Z)-1-fluoroprop-1-enyl]-methylamino]methyl]-3-pyridinyl]piperazin-1-yl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
CID 176560393
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560429
5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 176560723
8-fluoro-3-[3-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]cyclopentyl]-2H-isoquinolin-1-one
CID 176964421
6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
CID 176560387
3-ethyl-6-[(1R)-3-[4-(5-fluoro-2-pyridinyl)piperazin-1-ium-1-ylidene]cyclopentyl]-1H-pyridin-2-one
CID 176560739
5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560622
4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154828770

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one (CID 176560435) is 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one is CCc1ccc([C@@H]2CC[C@H](N3CCN(c4ncc(F)cn4)CC3)C2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one?
The InChIKey is ALUTXABIFZIHNB-WBVHZDCISA-N. The full InChI is InChI=1S/C20H26FN5O/c1-2-14-4-6-18(24-19(14)27)15-3-5-17(11-15)25-7-9-26(10-8-25)20-22-12-16(21)13-23-20/h4,6,12-13,15,17H,2-3,5,7-11H2,1H3,(H,24,27)/t15-,17+/m1/s1.
What are the key properties of 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one?
3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one has a molecular weight of 371.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one is sourced from PubChem (CID 176560435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).