N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine

C24H33F3N6OSi — CID 70307942

IUPACN-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3NC3CNCC(CC(F)(F)F)C3)cnc21
InChIInChI=1S/C24H33F3N6OSi/c1-35(2,3)10-9-34-16-33-8-6-20-23(33)30-15-21(32-20)19-5-4-7-29-22(19)31-18-11-17(13-28-14-18)12-24(25,26)27/h4-8,15,17-18,28H,9-14,16H2,1-3H3,(H,29,31)
InChIKeyNWBIOUNXWBFJBV-UHFFFAOYSA-N
MW506.65 g/mol
LogP5.15
Rot. Bonds9

About N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine

N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine (PubChem CID 70307942) has the molecular formula C24H33F3N6OSi and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
PubChem CID70307942
Molecular FormulaC24H33F3N6OSi
Molecular Weight506.65 g/mol
Exact Mass506.24
IUPAC NameN-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3NC3CNCC(CC(F)(F)F)C3)cnc21
InChIInChI=1S/C24H33F3N6OSi/c1-35(2,3)10-9-34-16-33-8-6-20-23(33)30-15-21(32-20)19-5-4-7-29-22(19)31-18-11-17(13-28-14-18)12-24(25,26)27/h4-8,15,17-18,28H,9-14,16H2,1-3H3,(H,29,31)
InChIKeyNWBIOUNXWBFJBV-UHFFFAOYSA-N
XLogP5.15
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?
The IUPAC name of N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine (CID 70307942) is N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?
The canonical SMILES for N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3NC3CNCC(CC(F)(F)F)C3)cnc21.
What is the InChIKey of N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?
The InChIKey is NWBIOUNXWBFJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N6OSi/c1-35(2,3)10-9-34-16-33-8-6-20-23(33)30-15-21(32-20)19-5-4-7-29-22(19)31-18-11-17(13-28-14-18)12-24(25,26)27/h4-8,15,17-18,28H,9-14,16H2,1-3H3,(H,29,31).
What are the key properties of N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine?
N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine has a molecular weight of 506.65 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2,2-trifluoroethyl)piperidin-3-yl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 70307942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).