(4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

C25H26ClF6N5O3 — CID 156637437

About (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 156637437) has the molecular formula C25H26ClF6N5O3 and a molecular weight of 593.96 g/mol. Its IUPAC name is (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 156637437
• Molecular Formula: C25H26ClF6N5O3
• Molecular Weight: 593.96 g/mol
• Exact Mass: 593.16
• IUPAC Name: (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)cc(N2C(=O)N(CC(O)CN3CC[C@H](F)C3)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2F)n1
• InChI: InChI=1S/C25H26ClF6N5O3/c1-13-7-14(25(30,31)32)8-20(33-13)37-19(23(39)34(2)18-4-3-17(28)21(26)22(18)29)12-36(24(37)40)11-16(38)10-35-6-5-15(27)9-35/h3-4,7-8,15-16,19,38H,5-6,9-12H2,1-2H3/t15-,16?,19-/m0/s1
• InChIKey: YJQQBXRCFJSHIZ-QLYZIHHJSA-N
• XLogP: 4.02
• TPSA: 80.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.96
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
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 (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (CID 156637437) is (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(=O)N(CC(O)CN3CC[C@H](F)C3)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2F)n1.

What is the InChIKey of (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is YJQQBXRCFJSHIZ-QLYZIHHJSA-N. The full InChI is InChI=1S/C25H26ClF6N5O3/c1-13-7-14(25(30,31)32)8-20(33-13)37-19(23(39)34(2)18-4-3-17(28)21(26)22(18)29)12-36(24(37)40)11-16(38)10-35-6-5-15(27)9-35/h3-4,7-8,15-16,19,38H,5-6,9-12H2,1-2H3/t15-,16?,19-/m0/s1.

What are the key properties of (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

(4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 593.96 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(3-chloro-2,4-difluorophenyl)-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]-2-hydroxypropyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 156637437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).