2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium

C19H23ClF2N3OSi+ — CID 142533713

IUPAC2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
SMILESC[SiH2+](C)CCOCn1c(-c2cncc(C(C)(F)F)c2)cc2c(Cl)ccnc21
InChIInChI=1S/C19H23ClF2N3OSi/c1-19(21,22)14-8-13(10-23-11-14)17-9-15-16(20)4-5-24-18(15)25(17)12-26-6-7-27(2)3/h4-5,8-11H,6-7,12,27H2,1-3H3/q+1
InChIKeyHWDGKXNRADLMRD-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.06
Rot. Bonds7

About 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium

2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium (PubChem CID 142533713) has the molecular formula C19H23ClF2N3OSi+ and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium.

Molecular Properties

Compound Name2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
PubChem CID142533713
Molecular FormulaC19H23ClF2N3OSi+
Molecular Weight410.95 g/mol
Exact Mass410.13
IUPAC Name2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
SMILESC[SiH2+](C)CCOCn1c(-c2cncc(C(C)(F)F)c2)cc2c(Cl)ccnc21
InChIInChI=1S/C19H23ClF2N3OSi/c1-19(21,22)14-8-13(10-23-11-14)17-9-15-16(20)4-5-24-18(15)25(17)12-26-6-7-27(2)3/h4-5,8-11H,6-7,12,27H2,1-3H3/q+1
InChIKeyHWDGKXNRADLMRD-UHFFFAOYSA-N
XLogP5.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-bis-(2-methoxy-ethyl)-amine
CID 44392687
9-(3-chloro-2,6-difluorobenzyl)-2-butoxy-N-(pyridin-3-ylmethyl)-9H-purin-6-amine
CID 44578730
2-(tert-butyl)-1-(3-chlorobenzyl)-1H-pyrrolo[2,3-b]pyridine
CID 1488070
4-[[2-(4-Chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309694
4-[[2-(4-Chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309666
4-[[2-(4-Chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309692
3-[3,5-Bis(trifluoromethyl)phenyl]-6-chloro-1-methyl-pyrrolo[2,3-b]pyridine
CID 170855645
2-[[4-Chloro-2-(6-morpholin-4-ylpyridin-3-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 71271911
4-chloro-2-iodo-5-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 71272036
4-Chloro-5-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-7-azaindole
CID 71277489
2-[(4-Fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169455
4-Chloro-3-fluoro-8-(1-propoxyethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 134952577

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
The IUPAC name of 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium (CID 142533713) is 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium.
What is the SMILES notation for 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
The canonical SMILES for 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium is C[SiH2+](C)CCOCn1c(-c2cncc(C(C)(F)F)c2)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
The InChIKey is HWDGKXNRADLMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N3OSi/c1-19(21,22)14-8-13(10-23-11-14)17-9-15-16(20)4-5-24-18(15)25(17)12-26-6-7-27(2)3/h4-5,8-11H,6-7,12,27H2,1-3H3/q+1.
What are the key properties of 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium has a molecular weight of 410.95 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-[5-(1,1-difluoroethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium is sourced from PubChem (CID 142533713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).