2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H24ClF3N4OSi — CID 169097751

IUPAC2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(CCC(F)(F)F)n2)cc2cnc(Cl)cc21
InChIInChI=1S/C20H24ClF3N4OSi/c1-30(2,3)9-8-29-13-28-16-11-18(21)26-12-14(16)10-17(28)15-5-7-25-19(27-15)4-6-20(22,23)24/h5,7,10-12H,4,6,8-9,13H2,1-3H3
InChIKeyMBCBMSVVZOSCCD-UHFFFAOYSA-N
MW456.97 g/mol
LogP5.95
Rot. Bonds8

About 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 169097751) has the molecular formula C20H24ClF3N4OSi and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID169097751
Molecular FormulaC20H24ClF3N4OSi
Molecular Weight456.97 g/mol
Exact Mass456.14
IUPAC Name2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(CCC(F)(F)F)n2)cc2cnc(Cl)cc21
InChIInChI=1S/C20H24ClF3N4OSi/c1-30(2,3)9-8-29-13-28-16-11-18(21)26-12-14(16)10-17(28)15-5-7-25-19(27-15)4-6-20(22,23)24/h5,7,10-12H,4,6,8-9,13H2,1-3H3
InChIKeyMBCBMSVVZOSCCD-UHFFFAOYSA-N
XLogP5.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.97
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 169097751) is 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccnc(CCC(F)(F)F)n2)cc2cnc(Cl)cc21.
What is the InChIKey of 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MBCBMSVVZOSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N4OSi/c1-30(2,3)9-8-29-13-28-16-11-18(21)26-12-14(16)10-17(28)15-5-7-25-19(27-15)4-6-20(22,23)24/h5,7,10-12H,4,6,8-9,13H2,1-3H3.
What are the key properties of 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 456.97 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 169097751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).