[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H15F3N4O2 — CID 3148180

IUPAC[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C21H15F3N4O2/c1-12-9-13-5-2-3-6-16(13)27(12)20(29)15-11-19-25-14(17-7-4-8-30-17)10-18(21(22,23)24)28(19)26-15/h2-8,10-12H,9H2,1H3
InChIKeyVJXSLHSWYPJELF-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.60
Rot. Bonds2

About [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3148180) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3148180
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C21H15F3N4O2/c1-12-9-13-5-2-3-6-16(13)27(12)20(29)15-11-19-25-14(17-7-4-8-30-17)10-18(21(22,23)24)28(19)26-15/h2-8,10-12H,9H2,1H3
InChIKeyVJXSLHSWYPJELF-UHFFFAOYSA-N
XLogP4.60
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 3148180) is [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is VJXSLHSWYPJELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-12-9-13-5-2-3-6-16(13)27(12)20(29)15-11-19-25-14(17-7-4-8-30-17)10-18(21(22,23)24)28(19)26-15/h2-8,10-12H,9H2,1H3.
What are the key properties of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 412.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3148180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).