acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane

C33H43F4N5O2 — CID 143680528

About acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane

acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane (PubChem CID 143680528) has the molecular formula C33H43F4N5O2 and a molecular weight of 617.73 g/mol. Its IUPAC name is acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane.

Molecular Properties

• Compound Name: acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane
• PubChem CID: 143680528
• Molecular Formula: C33H43F4N5O2
• Molecular Weight: 617.73 g/mol
• Exact Mass: 617.34
• IUPAC Name: acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane
• SMILES: C#C.C#C.CC(C)c1cccc(Cn2nc(-c3cc(F)ccc3F)nc2[C@H](N(CCCN)C(=O)CO)C(C)(C)C)c1.FCF
• InChI: InChI=1S/C28H37F2N5O2.2C2H2.CH2F2/c1-18(2)20-9-6-8-19(14-20)16-35-27(32-26(33-35)22-15-21(29)10-11-23(22)30)25(28(3,4)5)34(13-7-12-31)24(37)17-36;2*1-2;2-1-3/h6,8-11,14-15,18,25,36H,7,12-13,16-17,31H2,1-5H3;2*1-2H;1H2/t25-;;;/m0.../s1
• InChIKey: SPTPGDXTVGGUCG-VWIQTUQXSA-N
• XLogP: 6.03
• TPSA: 97.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.73
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane?

The IUPAC name of acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane (CID 143680528) is acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane.

What is the SMILES notation for acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane?

The canonical SMILES for acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane is C#C.C#C.CC(C)c1cccc(Cn2nc(-c3cc(F)ccc3F)nc2[C@H](N(CCCN)C(=O)CO)C(C)(C)C)c1.FCF.

What is the InChIKey of acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane?

The InChIKey is SPTPGDXTVGGUCG-VWIQTUQXSA-N. The full InChI is InChI=1S/C28H37F2N5O2.2C2H2.CH2F2/c1-18(2)20-9-6-8-19(14-20)16-35-27(32-26(33-35)22-15-21(29)10-11-23(22)30)25(28(3,4)5)34(13-7-12-31)24(37)17-36;2*1-2;2-1-3/h6,8-11,14-15,18,25,36H,7,12-13,16-17,31H2,1-5H3;2*1-2H;1H2/t25-;;;/m0.../s1.

What are the key properties of acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane?

acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane has a molecular weight of 617.73 g/mol, XLogP of 6.03, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(3-aminopropyl)-N-[(1R)-1-[5-(2,5-difluorophenyl)-2-[(3-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;difluoromethane is sourced from PubChem (CID 143680528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).