2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid

C27H38F3N5O3Si — CID 66597701

About 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid

2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid (PubChem CID 66597701) has the molecular formula C27H38F3N5O3Si and a molecular weight of 565.71 g/mol. Its IUPAC name is 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
• PubChem CID: 66597701
• Molecular Formula: C27H38F3N5O3Si
• Molecular Weight: 565.71 g/mol
• Exact Mass: 565.27
• IUPAC Name: 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
• SMILES: C[Si](C)(C)CCOCc1nc(-c2cnn(C(CC3CC3)C3CCCC3)c2)c2cc[nH]c2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H37N5OSi.C2HF3O2/c1-32(2,3)13-12-31-17-23-28-24(21-10-11-26-25(21)29-23)20-15-27-30(16-20)22(14-18-8-9-18)19-6-4-5-7-19;3-2(4,5)1(6)7/h10-11,15-16,18-19,22H,4-9,12-14,17H2,1-3H3,(H,26,28,29);(H,6,7)
• InChIKey: MPYQPNKXAHIDGO-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 105.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.71
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid (CID 66597701) is 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid is C[Si](C)(C)CCOCc1nc(-c2cnn(C(CC3CC3)C3CCCC3)c2)c2cc[nH]c2n1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

The InChIKey is MPYQPNKXAHIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5OSi.C2HF3O2/c1-32(2,3)13-12-31-17-23-28-24(21-10-11-26-25(21)29-23)20-15-27-30(16-20)22(14-18-8-9-18)19-6-4-5-7-19;3-2(4,5)1(6)7/h10-11,15-16,18-19,22H,4-9,12-14,17H2,1-3H3,(H,26,28,29);(H,6,7).

What are the key properties of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?

2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid has a molecular weight of 565.71 g/mol, XLogP of 6.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66597701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).