8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C26H22FN5O — CID 136626690

IUPAC8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cc(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccc(F)cc4C)cc3c2)ccn1
InChIInChI=1S/C26H22FN5O/c1-15-11-20(27)4-5-21(15)24-26-30-25(31-32(26)9-10-33-24)23-14-19-13-17(3-6-22(19)29-23)18-7-8-28-16(2)12-18/h3-8,11-14,24,29H,9-10H2,1-2H3
InChIKeyXQZDCTKOMDWSTA-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.36
Rot. Bonds3

About 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 136626690) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-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-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID136626690
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cc(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccc(F)cc4C)cc3c2)ccn1
InChIInChI=1S/C26H22FN5O/c1-15-11-20(27)4-5-21(15)24-26-30-25(31-32(26)9-10-33-24)23-14-19-13-17(3-6-22(19)29-23)18-7-8-28-16(2)12-18/h3-8,11-14,24,29H,9-10H2,1-2H3
InChIKeyXQZDCTKOMDWSTA-UHFFFAOYSA-N
XLogP5.36
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-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-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 136626690) is 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-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-(2-methyl-4-pyridinyl)-1H-indol-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-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is Cc1cc(-c2ccc3[nH]c(-c4nc5n(n4)CCOC5c4ccc(F)cc4C)cc3c2)ccn1.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is XQZDCTKOMDWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-15-11-20(27)4-5-21(15)24-26-30-25(31-32(26)9-10-33-24)23-14-19-13-17(3-6-22(19)29-23)18-7-8-28-16(2)12-18/h3-8,11-14,24,29H,9-10H2,1-2H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 439.49 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-2-[5-(2-methyl-4-pyridinyl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 136626690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).