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

C17H13ClF3N5 — CID 134450187

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C17H13ClF3N5/c1-8(2)26-16(9-5-10-7-22-24-14(10)11(18)6-9)15-12(25-26)3-4-13(23-15)17(19,20)21/h3-8H,1-2H3,(H,22,24)
InChIKeyPUPIIXGPTJCLQI-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.23
Rot. Bonds2

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

3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450187) has the molecular formula C17H13ClF3N5 and a molecular weight of 379.77 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450187
Molecular FormulaC17H13ClF3N5
Molecular Weight379.77 g/mol
Exact Mass379.08
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C17H13ClF3N5/c1-8(2)26-16(9-5-10-7-22-24-14(10)11(18)6-9)15-12(25-26)3-4-13(23-15)17(19,20)21/h3-8H,1-2H3,(H,22,24)
InChIKeyPUPIIXGPTJCLQI-UHFFFAOYSA-N
XLogP5.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.23
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-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450187) is 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is CC(C)n1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is PUPIIXGPTJCLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5/c1-8(2)26-16(9-5-10-7-22-24-14(10)11(18)6-9)15-12(25-26)3-4-13(23-15)17(19,20)21/h3-8H,1-2H3,(H,22,24).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 379.77 g/mol, XLogP of 5.23, 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-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).