4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine

C19H19FN6O — CID 123264811

IUPAC4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCOc1ncnc2[nH]cc(Cc3ccc(-c4ccn(CC)n4)nc3F)c12
InChIInChI=1S/C19H19FN6O/c1-3-26-8-7-15(25-26)14-6-5-12(17(20)24-14)9-13-10-21-18-16(13)19(27-4-2)23-11-22-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)
InChIKeyWCQXLDMXLAGVEF-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.36
Rot. Bonds6

About 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine

4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 123264811) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID123264811
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCOc1ncnc2[nH]cc(Cc3ccc(-c4ccn(CC)n4)nc3F)c12
InChIInChI=1S/C19H19FN6O/c1-3-26-8-7-15(25-26)14-6-5-12(17(20)24-14)9-13-10-21-18-16(13)19(27-4-2)23-11-22-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)
InChIKeyWCQXLDMXLAGVEF-UHFFFAOYSA-N
XLogP3.36
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 123264811) is 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine is CCOc1ncnc2[nH]cc(Cc3ccc(-c4ccn(CC)n4)nc3F)c12.
What is the InChIKey of 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is WCQXLDMXLAGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-3-26-8-7-15(25-26)14-6-5-12(17(20)24-14)9-13-10-21-18-16(13)19(27-4-2)23-11-22-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23).
What are the key properties of 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 366.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-[[6-(1-ethylpyrazol-3-yl)-2-fluoro-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 123264811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).