3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

C23H22ClFN4O2 — CID 169230115

IUPAC3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCc1nc(Cl)ccc1-c1cc(CCC(=O)NC2CCNC2=O)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H22ClFN4O2/c1-13-17(7-8-20(24)27-13)19-12-15(22(29-19)14-2-5-16(25)6-3-14)4-9-21(30)28-18-10-11-26-23(18)31/h2-3,5-8,12,18,29H,4,9-11H2,1H3,(H,26,31)(H,28,30)
InChIKeyQYCWWGANRXTOEH-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.78
Rot. Bonds6

About 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide

3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 169230115) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID169230115
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCc1nc(Cl)ccc1-c1cc(CCC(=O)NC2CCNC2=O)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H22ClFN4O2/c1-13-17(7-8-20(24)27-13)19-12-15(22(29-19)14-2-5-16(25)6-3-14)4-9-21(30)28-18-10-11-26-23(18)31/h2-3,5-8,12,18,29H,4,9-11H2,1H3,(H,26,31)(H,28,30)
InChIKeyQYCWWGANRXTOEH-UHFFFAOYSA-N
XLogP3.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
CID 169229966
3-[2-(4-cyano-2-fluorophenyl)-5-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
CID 169229886
3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide
CID 169229833
N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide
CID 169230013
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide
CID 74230128
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4S)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]propanamide;[(3R,4S)-4-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-5-oxopyrrolidin-3-yl] acetate
CID 158058997
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
3-[2-(4-fluorophenyl)-5-[1-(trifluoromethyl)cyclobutyl]-1H-pyrrol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
CID 170300828
N-(2-oxoazepan-3-yl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 75414800
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 96577447
N-(4-aminobutan-2-yl)-3-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]propanamide;formaldehyde
CID 169229900
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-oxoazepan-3-yl)propanamide
CID 55683652

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide (CID 169230115) is 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is Cc1nc(Cl)ccc1-c1cc(CCC(=O)NC2CCNC2=O)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is QYCWWGANRXTOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-13-17(7-8-20(24)27-13)19-12-15(22(29-19)14-2-5-16(25)6-3-14)4-9-21(30)28-18-10-11-26-23(18)31/h2-3,5-8,12,18,29H,4,9-11H2,1H3,(H,26,31)(H,28,30).
What are the key properties of 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide?
3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 440.91 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-chloro-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]-N-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 169230115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).