1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one

C23H18ClFN2O3 — CID 58387845

IUPAC1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one
SMILESO=C(Cc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@H]1C(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C23H18ClFN2O3/c24-15-5-6-16(26-13-15)10-22(29)19-12-18(19)21(28)9-14-4-7-17(11-20(14)25)27-8-2-1-3-23(27)30/h1-8,11,13,18-19H,9-10,12H2/t18-,19+/m0/s1
InChIKeyDHYABXVMGAOQDD-RBUKOAKNSA-N
MW424.86 g/mol
LogP3.58
Rot. Bonds7

About 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one

1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one (PubChem CID 58387845) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one
PubChem CID58387845
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one
SMILESO=C(Cc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@H]1C(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C23H18ClFN2O3/c24-15-5-6-16(26-13-15)10-22(29)19-12-18(19)21(28)9-14-4-7-17(11-20(14)25)27-8-2-1-3-23(27)30/h1-8,11,13,18-19H,9-10,12H2/t18-,19+/m0/s1
InChIKeyDHYABXVMGAOQDD-RBUKOAKNSA-N
XLogP3.58
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one with MolForge

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Related Compounds

3-(2-Chlorophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 10269791
4-(3-chloropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)benzamide
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2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(4-fluorophenyl)piperazino]-1-ethanone
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(4-chlorophenyl){1-[(2E)-3-pyridin-2-ylprop-2-enoyl]piperidin-3-yl}methanone
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CID 86716414
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-[2-(2-pyridinyl)ethyl]-2(1H)-pyridinone
CID 54696632
1-[4-[4-(5-Chloropyridine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 137632736
(3-Chlorophenyl)-[4-[4-(2-pyridyl)phenyl]piperazin-1-yl]methanone
CID 137648520
3-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-1-(4-phenylpiperazino)-1-propanone
CID 1488377
US20250051309, Example 3.3
CID 175681187
US20250051309, Example 3.6
CID 175681190
US20250051309, Example 3.7
CID 175681191

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
The IUPAC name of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one (CID 58387845) is 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one is O=C(Cc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@H]1C(=O)Cc1ccc(Cl)cn1.
What is the InChIKey of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
The InChIKey is DHYABXVMGAOQDD-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c24-15-5-6-16(26-13-15)10-22(29)19-12-18(19)21(28)9-14-4-7-17(11-20(14)25)27-8-2-1-3-23(27)30/h1-8,11,13,18-19H,9-10,12H2/t18-,19+/m0/s1.
What are the key properties of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one has a molecular weight of 424.86 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]cyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one is sourced from PubChem (CID 58387845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).