3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one

C19H17ClFN5O — CID 162784460

IUPAC3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCc1c(N2CCC(Cc3cnc(Cl)c(F)c3)C2=O)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H17ClFN5O/c1-11-16(13-2-5-22-6-3-13)24-25-18(11)26-7-4-14(19(26)27)8-12-9-15(21)17(20)23-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,24,25)
InChIKeySWVJHQLDJXJXMD-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.56
Rot. Bonds4

About 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one

3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one (PubChem CID 162784460) has the molecular formula C19H17ClFN5O and a molecular weight of 385.83 g/mol. Its IUPAC name is 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
PubChem CID162784460
Molecular FormulaC19H17ClFN5O
Molecular Weight385.83 g/mol
Exact Mass385.11
IUPAC Name3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCc1c(N2CCC(Cc3cnc(Cl)c(F)c3)C2=O)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H17ClFN5O/c1-11-16(13-2-5-22-6-3-13)24-25-18(11)26-7-4-14(19(26)27)8-12-9-15(21)17(20)23-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,24,25)
InChIKeySWVJHQLDJXJXMD-UHFFFAOYSA-N
XLogP3.56
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-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-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 162784417
(3S)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 162784395
(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
CID 162784343
ethane;1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(4-methylphenyl)methyl]pyrrolidin-2-one;propane
CID 162740263
3-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784501
(3S)-3-[(6-chloro-3-pyridinyl)methyl]-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784442
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784404
(3S)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(6-pyridin-4-yl-3-pyridinyl)pyrrolidin-2-one
CID 177188686
3-(6-chloro-5-fluoro-3-pyridinyl)-1-(3-pyridin-4-yl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-yl)propan-1-one
CID 168678866
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784385
3-[(4-fluoro-3-isocyanophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 162784463
(3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)azepan-2-one
CID 162784532

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one (CID 162784460) is 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one is Cc1c(N2CCC(Cc3cnc(Cl)c(F)c3)C2=O)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is SWVJHQLDJXJXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O/c1-11-16(13-2-5-22-6-3-13)24-25-18(11)26-7-4-14(19(26)27)8-12-9-15(21)17(20)23-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,24,25).
What are the key properties of 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one?
3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 385.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 162784460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).