2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine

C20H17F3N4 — CID 162597412

IUPAC2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
SMILESC=C1Cc2cc(-c3c(C4CCC4)nn4cnc(C(F)(F)F)cc34)ccc2N1
InChIInChI=1S/C20H17F3N4/c1-11-7-14-8-13(5-6-15(14)25-11)18-16-9-17(20(21,22)23)24-10-27(16)26-19(18)12-3-2-4-12/h5-6,8-10,12,25H,1-4,7H2
InChIKeySDMGZHDLRPKHSR-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.16
Rot. Bonds2

About 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine

2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine (PubChem CID 162597412) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
PubChem CID162597412
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
SMILESC=C1Cc2cc(-c3c(C4CCC4)nn4cnc(C(F)(F)F)cc34)ccc2N1
InChIInChI=1S/C20H17F3N4/c1-11-7-14-8-13(5-6-15(14)25-11)18-16-9-17(20(21,22)23)24-10-27(16)26-19(18)12-3-2-4-12/h5-6,8-10,12,25H,1-4,7H2
InChIKeySDMGZHDLRPKHSR-UHFFFAOYSA-N
XLogP5.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
The IUPAC name of 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine (CID 162597412) is 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine is C=C1Cc2cc(-c3c(C4CCC4)nn4cnc(C(F)(F)F)cc34)ccc2N1.
What is the InChIKey of 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
The InChIKey is SDMGZHDLRPKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c1-11-7-14-8-13(5-6-15(14)25-11)18-16-9-17(20(21,22)23)24-10-27(16)26-19(18)12-3-2-4-12/h5-6,8-10,12,25H,1-4,7H2.
What are the key properties of 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine?
2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine has a molecular weight of 370.38 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(2-methylidene-1,3-dihydroindol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 162597412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).