(4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane

C30H34ClF4N9O3 — CID 142558776

About (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane

(4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane (PubChem CID 142558776) has the molecular formula C30H34ClF4N9O3 and a molecular weight of 680.11 g/mol. Its IUPAC name is (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane.

Molecular Properties

• Compound Name: (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane
• PubChem CID: 142558776
• Molecular Formula: C30H34ClF4N9O3
• Molecular Weight: 680.11 g/mol
• Exact Mass: 679.24
• IUPAC Name: (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane
• SMILES: CCC.CCOC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@H](c2ccc(-c3cnn(C(F)F)c3)cc2)N=C1N.NC=O
• InChI: InChI=1S/C26H23ClF4N8O2.C3H8.CH3NO/c1-2-41-12-20(16-7-8-18(27)19(9-16)39-23(22(28)29)33-13-35-39)38-24(40)21(36-26(38)32)15-5-3-14(4-6-15)17-10-34-37(11-17)25(30)31;1-3-2;2-1-3/h3-11,13,20-22,25H,2,12H2,1H3,(H2,32,36);3H2,1-2H3;1H,(H2,2,3)/t20-,21-;;/m1../s1
• InChIKey: SQERWBYGELMFLB-OXIQQVKJSA-N
• XLogP: 5.61
• TPSA: 159.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.11
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane?

The IUPAC name of (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane (CID 142558776) is (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane.

What is the SMILES notation for (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane?

The canonical SMILES for (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane is CCC.CCOC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@H](c2ccc(-c3cnn(C(F)F)c3)cc2)N=C1N.NC=O.

What is the InChIKey of (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane?

The InChIKey is SQERWBYGELMFLB-OXIQQVKJSA-N. The full InChI is InChI=1S/C26H23ClF4N8O2.C3H8.CH3NO/c1-2-41-12-20(16-7-8-18(27)19(9-16)39-23(22(28)29)33-13-35-39)38-24(40)21(36-26(38)32)15-5-3-14(4-6-15)17-10-34-37(11-17)25(30)31;1-3-2;2-1-3/h3-11,13,20-22,25H,2,12H2,1H3,(H2,32,36);3H2,1-2H3;1H,(H2,2,3)/t20-,21-;;/m1../s1.

What are the key properties of (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane?

(4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane has a molecular weight of 680.11 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-amino-1-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-ethoxyethyl]-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4H-imidazol-5-one;formamide;propane is sourced from PubChem (CID 142558776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).