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

C24H20ClFN2O3 — CID 58387843

IUPAC1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one
SMILESC[C@]1(C(=O)Cc2ccc(-n3ccccc3=O)cc2F)C[C@H]1C(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C24H20ClFN2O3/c1-24(13-19(24)21(29)11-17-7-6-16(25)14-27-17)22(30)10-15-5-8-18(12-20(15)26)28-9-3-2-4-23(28)31/h2-9,12,14,19H,10-11,13H2,1H3/t19-,24-/m0/s1
InChIKeyDPQYIJWPMKRVJF-CYFREDJKSA-N
MW438.89 g/mol
LogP3.97
Rot. Bonds7

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

1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one (PubChem CID 58387843) has the molecular formula C24H20ClFN2O3 and a molecular weight of 438.89 g/mol. Its IUPAC name is 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one
PubChem CID58387843
Molecular FormulaC24H20ClFN2O3
Molecular Weight438.89 g/mol
Exact Mass438.11
IUPAC Name1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one
SMILESC[C@]1(C(=O)Cc2ccc(-n3ccccc3=O)cc2F)C[C@H]1C(=O)Cc1ccc(Cl)cn1
InChIInChI=1S/C24H20ClFN2O3/c1-24(13-19(24)21(29)11-17-7-6-16(25)14-27-17)22(30)10-15-5-8-18(12-20(15)26)28-9-3-2-4-23(28)31/h2-9,12,14,19H,10-11,13H2,1H3/t19-,24-/m0/s1
InChIKeyDPQYIJWPMKRVJF-CYFREDJKSA-N
XLogP3.97
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)benzamide
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CID 11602307
(4-chlorophenyl){1-[(2E)-3-pyridin-2-ylprop-2-enoyl]piperidin-3-yl}methanone
CID 16189165
4-(3-chloropyridin-2-yl)-N-(4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl)benzamide
CID 44433395
5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53308745
1-(4-chlorophenyl)-N-({1-[(2-methyl-3-pyridinyl)carbonyl]-3-piperidinyl}methyl)cyclopropanecarboxamide
CID 16191975
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)cyclohexane-1-carboxamide
CID 168271943
6-(2-chloro-4-fluorobenzoyl)-N-[2-(2-pyridinyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45165977
4-((2S)-3-(3-(5-chloropyridin-2-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)-2-(dimethylamino)propyl)-2-fluorobenzamide
CID 165405407
4-((S)-3-((R)-3-(4-chlorophenyl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)-2-(dimethylamino)propyl)benzamide
CID 166025332
US20250051309, Example 3.3
CID 175681187
US20250051309, Example 3.6
CID 175681190

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
The IUPAC name of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one (CID 58387843) is 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-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]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one is C[C@]1(C(=O)Cc2ccc(-n3ccccc3=O)cc2F)C[C@H]1C(=O)Cc1ccc(Cl)cn1.
What is the InChIKey of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
The InChIKey is DPQYIJWPMKRVJF-CYFREDJKSA-N. The full InChI is InChI=1S/C24H20ClFN2O3/c1-24(13-19(24)21(29)11-17-7-6-16(25)14-27-17)22(30)10-15-5-8-18(12-20(15)26)28-9-3-2-4-23(28)31/h2-9,12,14,19H,10-11,13H2,1H3/t19-,24-/m0/s1.
What are the key properties of 1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one?
1-[4-[2-[(1S,2R)-2-[2-(5-chloro-2-pyridinyl)acetyl]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one has a molecular weight of 438.89 g/mol, XLogP of 3.97, 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]-1-methylcyclopropyl]-2-oxoethyl]-3-fluorophenyl]pyridin-2-one is sourced from PubChem (CID 58387843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).