7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one

C22H19FN4O2 — CID 171620702

IUPAC7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2cccc(OC3CC3)c2)c(C)n2c(=O)n(-c3ccc(F)cn3)ncc12
InChIInChI=1S/C22H19FN4O2/c1-13-19-12-25-27(20-9-6-16(23)11-24-20)22(28)26(19)14(2)21(13)15-4-3-5-18(10-15)29-17-7-8-17/h3-6,9-12,17H,7-8H2,1-2H3
InChIKeyGWGPUFUVZZLVAF-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.84
Rot. Bonds4

About 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one

7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620702) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620702
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2cccc(OC3CC3)c2)c(C)n2c(=O)n(-c3ccc(F)cn3)ncc12
InChIInChI=1S/C22H19FN4O2/c1-13-19-12-25-27(20-9-6-16(23)11-24-20)22(28)26(19)14(2)21(13)15-4-3-5-18(10-15)29-17-7-8-17/h3-6,9-12,17H,7-8H2,1-2H3
InChIKeyGWGPUFUVZZLVAF-UHFFFAOYSA-N
XLogP3.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620702) is 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one is Cc1c(-c2cccc(OC3CC3)c2)c(C)n2c(=O)n(-c3ccc(F)cn3)ncc12.
What is the InChIKey of 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is GWGPUFUVZZLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-13-19-12-25-27(20-9-6-16(23)11-24-20)22(28)26(19)14(2)21(13)15-4-3-5-18(10-15)29-17-7-8-17/h3-6,9-12,17H,7-8H2,1-2H3.
What are the key properties of 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 390.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopropyloxyphenyl)-3-(5-fluoro-2-pyridinyl)-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).