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

C27H38F3N5O3Si — CID 66597725

IUPAC2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC4CC4)C4CCCC4)c3)ncnc21.O=C(O)C(F)(F)F
InChIInChI=1S/C25H37N5OSi.C2HF3O2/c1-32(2,3)13-12-31-18-29-11-10-22-24(26-17-27-25(22)29)21-15-28-30(16-21)23(14-19-8-9-19)20-6-4-5-7-20;3-2(4,5)1(6)7/h10-11,15-17,19-20,23H,4-9,12-14,18H2,1-3H3;(H,6,7)
InChIKeyODEDCJPNUBJGHT-UHFFFAOYSA-N
MW565.71 g/mol
LogP6.77
Rot. Bonds10

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

2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid (PubChem CID 66597725) 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]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
PubChem CID66597725
Molecular FormulaC27H38F3N5O3Si
Molecular Weight565.71 g/mol
Exact Mass565.27
IUPAC Name2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC4CC4)C4CCCC4)c3)ncnc21.O=C(O)C(F)(F)F
InChIInChI=1S/C25H37N5OSi.C2HF3O2/c1-32(2,3)13-12-31-18-29-11-10-22-24(26-17-27-25(22)29)21-15-28-30(16-21)23(14-19-8-9-19)20-6-4-5-7-20;3-2(4,5)1(6)7/h10-11,15-17,19-20,23H,4-9,12-14,18H2,1-3H3;(H,6,7)
InChIKeyODEDCJPNUBJGHT-UHFFFAOYSA-N
XLogP6.77
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid (CID 66597725) is 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-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]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC4CC4)C4CCCC4)c3)ncnc21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?
The InChIKey is ODEDCJPNUBJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5OSi.C2HF3O2/c1-32(2,3)13-12-31-18-29-11-10-22-24(26-17-27-25(22)29)21-15-28-30(16-21)23(14-19-8-9-19)20-6-4-5-7-20;3-2(4,5)1(6)7/h10-11,15-17,19-20,23H,4-9,12-14,18H2,1-3H3;(H,6,7).
What are the key properties of 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid?
2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid has a molecular weight of 565.71 g/mol, XLogP of 6.77, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(1-cyclopentyl-2-cyclopropylethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66597725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).