3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C18H13ClF3N5 — CID 134450009

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1ccc2nn(C3CCC3)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C18H13ClF3N5/c19-12-7-9(6-10-8-23-25-15(10)12)17-16-13(26-27(17)11-2-1-3-11)4-5-14(24-16)18(20,21)22/h4-8,11H,1-3H2,(H,23,25)
InChIKeyWRAAGCYHBFTNQN-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.37
Rot. Bonds2

About 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450009) has the molecular formula C18H13ClF3N5 and a molecular weight of 391.78 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450009
Molecular FormulaC18H13ClF3N5
Molecular Weight391.78 g/mol
Exact Mass391.08
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1ccc2nn(C3CCC3)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C18H13ClF3N5/c19-12-7-9(6-10-8-23-25-15(10)12)17-16-13(26-27(17)11-2-1-3-11)4-5-14(24-16)18(20,21)22/h4-8,11H,1-3H2,(H,23,25)
InChIKeyWRAAGCYHBFTNQN-UHFFFAOYSA-N
XLogP5.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450009) is 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is FC(F)(F)c1ccc2nn(C3CCC3)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is WRAAGCYHBFTNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N5/c19-12-7-9(6-10-8-23-25-15(10)12)17-16-13(26-27(17)11-2-1-3-11)4-5-14(24-16)18(20,21)22/h4-8,11H,1-3H2,(H,23,25).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 391.78 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).