6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine

C20H20FN5O2 — CID 155510804

IUPAC6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCOCc1cn(-c2cc(C)[nH]n2)c2nc(OC(C)c3ccc(F)cn3)ccc12
InChIInChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)
InChIKeyDXKGQCPIAPTPPB-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.88
Rot. Bonds6

About 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine

6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 155510804) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID155510804
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
SMILESCOCc1cn(-c2cc(C)[nH]n2)c2nc(OC(C)c3ccc(F)cn3)ccc12
InChIInChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)
InChIKeyDXKGQCPIAPTPPB-UHFFFAOYSA-N
XLogP3.88
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine (CID 155510804) is 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine is COCc1cn(-c2cc(C)[nH]n2)c2nc(OC(C)c3ccc(F)cn3)ccc12.
What is the InChIKey of 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is DXKGQCPIAPTPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25).
What are the key properties of 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine?
6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 381.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-fluoro-2-pyridinyl)ethoxy]-3-(methoxymethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155510804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).