2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C18H14F3N5 — CID 134450041

IUPAC2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1ccc2nn(C3CCC3)c(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C18H14F3N5/c19-18(20,21)15-7-6-14-16(23-15)17(26(25-14)12-2-1-3-12)10-4-5-13-11(8-10)9-22-24-13/h4-9,12H,1-3H2,(H,22,24)
InChIKeyDKSHFNDBUUVGGO-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.72
Rot. Bonds2

About 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450041) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450041
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1ccc2nn(C3CCC3)c(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C18H14F3N5/c19-18(20,21)15-7-6-14-16(23-15)17(26(25-14)12-2-1-3-12)10-4-5-13-11(8-10)9-22-24-13/h4-9,12H,1-3H2,(H,22,24)
InChIKeyDKSHFNDBUUVGGO-UHFFFAOYSA-N
XLogP4.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450041) is 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is FC(F)(F)c1ccc2nn(C3CCC3)c(-c3ccc4[nH]ncc4c3)c2n1.
What is the InChIKey of 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is DKSHFNDBUUVGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c19-18(20,21)15-7-6-14-16(23-15)17(26(25-14)12-2-1-3-12)10-4-5-13-11(8-10)9-22-24-13/h4-9,12H,1-3H2,(H,22,24).
What are the key properties of 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 357.34 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).