8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C23H20FN7O — CID 136626676

IUPAC8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccc(F)cc4C)cc3n2)cn1
InChIInChI=1S/C23H20FN7O/c1-13-9-15(24)3-4-16(13)21-23-28-22(29-31(23)7-8-32-21)19-10-18-17(26-19)5-6-20(27-18)30-11-14(2)25-12-30/h3-6,9-12,21,26H,7-8H2,1-2H3
InChIKeyRJLRLFGYTHYZOF-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.88
Rot. Bonds3

About 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 136626676) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID136626676
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccc(F)cc4C)cc3n2)cn1
InChIInChI=1S/C23H20FN7O/c1-13-9-15(24)3-4-16(13)21-23-28-22(29-31(23)7-8-32-21)19-10-18-17(26-19)5-6-20(27-18)30-11-14(2)25-12-30/h3-6,9-12,21,26H,7-8H2,1-2H3
InChIKeyRJLRLFGYTHYZOF-UHFFFAOYSA-N
XLogP3.88
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 136626676) is 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is Cc1cn(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccc(F)cc4C)cc3n2)cn1.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is RJLRLFGYTHYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-13-9-15(24)3-4-16(13)21-23-28-22(29-31(23)7-8-32-21)19-10-18-17(26-19)5-6-20(27-18)30-11-14(2)25-12-30/h3-6,9-12,21,26H,7-8H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 429.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 136626676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).