[[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane

C18H28ClN3O2Si — CID 175447766

IUPAC[[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane
SMILESCCOC(c1cc2c(N3CCOC[C@H]3C)cc(Cl)nc2[nH]1)[Si](C)(C)C
InChIInChI=1S/C18H28ClN3O2Si/c1-6-24-18(25(3,4)5)14-9-13-15(10-16(19)21-17(13)20-14)22-7-8-23-11-12(22)2/h9-10,12,18H,6-8,11H2,1-5H3,(H,20,21)/t12-,18?/m1/s1
InChIKeyULPMKISPSCKMLN-GKOGFXNCSA-N
MW381.98 g/mol
LogP4.40
Rot. Bonds5

About [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane

[[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane (PubChem CID 175447766) has the molecular formula C18H28ClN3O2Si and a molecular weight of 381.98 g/mol. Its IUPAC name is [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane.

Molecular Properties

Compound Name[[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane
PubChem CID175447766
Molecular FormulaC18H28ClN3O2Si
Molecular Weight381.98 g/mol
Exact Mass381.16
IUPAC Name[[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane
SMILESCCOC(c1cc2c(N3CCOC[C@H]3C)cc(Cl)nc2[nH]1)[Si](C)(C)C
InChIInChI=1S/C18H28ClN3O2Si/c1-6-24-18(25(3,4)5)14-9-13-15(10-16(19)21-17(13)20-14)22-7-8-23-11-12(22)2/h9-10,12,18H,6-8,11H2,1-5H3,(H,20,21)/t12-,18?/m1/s1
InChIKeyULPMKISPSCKMLN-GKOGFXNCSA-N
XLogP4.40
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane?
The IUPAC name of [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane (CID 175447766) is [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane.
What is the SMILES notation for [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane?
The canonical SMILES for [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane is CCOC(c1cc2c(N3CCOC[C@H]3C)cc(Cl)nc2[nH]1)[Si](C)(C)C.
What is the InChIKey of [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane?
The InChIKey is ULPMKISPSCKMLN-GKOGFXNCSA-N. The full InChI is InChI=1S/C18H28ClN3O2Si/c1-6-24-18(25(3,4)5)14-9-13-15(10-16(19)21-17(13)20-14)22-7-8-23-11-12(22)2/h9-10,12,18H,6-8,11H2,1-5H3,(H,20,21)/t12-,18?/m1/s1.
What are the key properties of [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane?
[[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane has a molecular weight of 381.98 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-chloro-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethoxymethyl]-trimethylsilane is sourced from PubChem (CID 175447766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).