[3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate

C30H41FN5O7P — CID 169141788

About [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate

[3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate (PubChem CID 169141788) has the molecular formula C30H41FN5O7P and a molecular weight of 633.66 g/mol. Its IUPAC name is [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate.

Molecular Properties

• Compound Name: [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate
• PubChem CID: 169141788
• Molecular Formula: C30H41FN5O7P
• Molecular Weight: 633.66 g/mol
• Exact Mass: 633.27
• IUPAC Name: [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate
• SMILES: COCc1cc(C(=O)Nc2cc(C3CC(C)C(F)C3)nn2COC(=O)CC(C)(C)c2c(C)cc(C)cc2OP(O)O)n(C)n1
• InChI: InChI=1S/C30H41FN5O7P/c1-17-8-19(3)28(25(9-17)43-44(39)40)30(4,5)14-27(37)42-16-36-26(13-23(34-36)20-10-18(2)22(31)11-20)32-29(38)24-12-21(15-41-7)33-35(24)6/h8-9,12-13,18,20,22,39-40H,10-11,14-16H2,1-7H3,(H,32,38)
• InChIKey: OTMRDMQYALIWIZ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 149.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.66
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate?

The IUPAC name of [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate (CID 169141788) is [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate.

What is the SMILES notation for [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate?

The canonical SMILES for [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate is COCc1cc(C(=O)Nc2cc(C3CC(C)C(F)C3)nn2COC(=O)CC(C)(C)c2c(C)cc(C)cc2OP(O)O)n(C)n1.

What is the InChIKey of [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate?

The InChIKey is OTMRDMQYALIWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FN5O7P/c1-17-8-19(3)28(25(9-17)43-44(39)40)30(4,5)14-27(37)42-16-36-26(13-23(34-36)20-10-18(2)22(31)11-20)32-29(38)24-12-21(15-41-7)33-35(24)6/h8-9,12-13,18,20,22,39-40H,10-11,14-16H2,1-7H3,(H,32,38).

What are the key properties of [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate?

[3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate has a molecular weight of 633.66 g/mol, XLogP of 4.94, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-fluoro-4-methylcyclopentyl)-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate is sourced from PubChem (CID 169141788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).