N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C24H34FN5O3Si — CID 140817078

About N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 140817078) has the molecular formula C24H34FN5O3Si and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• PubChem CID: 140817078
• Molecular Formula: C24H34FN5O3Si
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.24
• IUPAC Name: N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• SMILES: CC1(C)c2[nH]nc(NC(=O)C3([Si](C)(C)C)CCC3)c2CN1C(=O)NC(CO)c1cccc(F)c1
• InChI: InChI=1S/C24H34FN5O3Si/c1-23(2)19-17(20(29-28-19)27-21(32)24(10-7-11-24)34(3,4)5)13-30(23)22(33)26-18(14-31)15-8-6-9-16(25)12-15/h6,8-9,12,18,31H,7,10-11,13-14H2,1-5H3,(H,26,33)(H2,27,28,29,32)
• InChIKey: ATLCRMIWKXWZRS-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 110.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The IUPAC name of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 140817078) is N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

What is the SMILES notation for N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The canonical SMILES for N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC1(C)c2[nH]nc(NC(=O)C3([Si](C)(C)C)CCC3)c2CN1C(=O)NC(CO)c1cccc(F)c1.

What is the InChIKey of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The InChIKey is ATLCRMIWKXWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O3Si/c1-23(2)19-17(20(29-28-19)27-21(32)24(10-7-11-24)34(3,4)5)13-30(23)22(33)26-18(14-31)15-8-6-9-16(25)12-15/h6,8-9,12,18,31H,7,10-11,13-14H2,1-5H3,(H,26,33)(H2,27,28,29,32).

What are the key properties of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 4.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 140817078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).