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

C16H11ClF3N5 — CID 134450391

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCCn1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H11ClF3N5/c1-2-25-15(8-5-9-7-21-23-13(9)10(17)6-8)14-11(24-25)3-4-12(22-14)16(18,19)20/h3-7H,2H2,1H3,(H,21,23)
InChIKeyNAWGKZPAOIEYEZ-UHFFFAOYSA-N
MW365.75 g/mol
LogP4.67
Rot. Bonds2

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

3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450391) has the molecular formula C16H11ClF3N5 and a molecular weight of 365.75 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450391
Molecular FormulaC16H11ClF3N5
Molecular Weight365.75 g/mol
Exact Mass365.07
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCCn1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H11ClF3N5/c1-2-25-15(8-5-9-7-21-23-13(9)10(17)6-8)14-11(24-25)3-4-12(22-14)16(18,19)20/h3-7H,2H2,1H3,(H,21,23)
InChIKeyNAWGKZPAOIEYEZ-UHFFFAOYSA-N
XLogP4.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 54.67
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-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450391) is 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is CCn1nc2ccc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is NAWGKZPAOIEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5/c1-2-25-15(8-5-9-7-21-23-13(9)10(17)6-8)14-11(24-25)3-4-12(22-14)16(18,19)20/h3-7H,2H2,1H3,(H,21,23).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 365.75 g/mol, XLogP of 4.67, 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-ethyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).