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

C24H43N5O3Si — CID 140817025

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

N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 140817025) has the molecular formula C24H43N5O3Si and a molecular weight of 477.73 g/mol. Its IUPAC name is N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• PubChem CID: 140817025
• Molecular Formula: C24H43N5O3Si
• Molecular Weight: 477.73 g/mol
• Exact Mass: 477.31
• IUPAC Name: N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
• SMILES: CC(C)C(CC(C)(C)O)NC(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C
• InChI: InChI=1S/C24H43N5O3Si/c1-15(2)17(13-22(3,4)32)25-21(31)29-14-16-18(23(29,5)6)27-28-19(16)26-20(30)24(11-10-12-24)33(7,8)9/h15,17,32H,10-14H2,1-9H3,(H,25,31)(H2,26,27,28,30)
• InChIKey: IEDJAJATFLLRSM-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 110.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.73
LogP ≤ 5	4.56
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-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?

The IUPAC name of N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 140817025) is N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

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

The canonical SMILES for N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC(C)C(CC(C)(C)O)NC(=O)N1Cc2c(NC(=O)C3([Si](C)(C)C)CCC3)n[nH]c2C1(C)C.

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

The InChIKey is IEDJAJATFLLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O3Si/c1-15(2)17(13-22(3,4)32)25-21(31)29-14-16-18(23(29,5)6)27-28-19(16)26-20(30)24(11-10-12-24)33(7,8)9/h15,17,32H,10-14H2,1-9H3,(H,25,31)(H2,26,27,28,30).

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

N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 477.73 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 140817025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).