1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

C27H30ClF5N6O3 — CID 176826369

About 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 176826369) has the molecular formula C27H30ClF5N6O3 and a molecular weight of 617.02 g/mol. Its IUPAC name is 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 176826369
• Molecular Formula: C27H30ClF5N6O3
• Molecular Weight: 617.02 g/mol
• Exact Mass: 616.20
• IUPAC Name: 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: CC(=O)N(C)C1CCN(CCN2CC(C(=O)N(C)c3ccc(F)c(Cl)c3F)N(c3cc(C(F)(F)F)cc(C)n3)C2=O)C1
• InChI: InChI=1S/C27H30ClF5N6O3/c1-15-11-17(27(31,32)33)12-22(34-15)39-21(25(41)36(4)20-6-5-19(29)23(28)24(20)30)14-38(26(39)42)10-9-37-8-7-18(13-37)35(3)16(2)40/h5-6,11-12,18,21H,7-10,13-14H2,1-4H3
• InChIKey: JKLHIDJLQKJSGF-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 80.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.02
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (CID 176826369) is 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is CC(=O)N(C)C1CCN(CCN2CC(C(=O)N(C)c3ccc(F)c(Cl)c3F)N(c3cc(C(F)(F)F)cc(C)n3)C2=O)C1.

What is the InChIKey of 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is JKLHIDJLQKJSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF5N6O3/c1-15-11-17(27(31,32)33)12-22(34-15)39-21(25(41)36(4)20-6-5-19(29)23(28)24(20)30)14-38(26(39)42)10-9-37-8-7-18(13-37)35(3)16(2)40/h5-6,11-12,18,21H,7-10,13-14H2,1-4H3.

What are the key properties of 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 617.02 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 176826369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).