3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C18H12F3N5O — CID 53238784

IUPAC3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2c3ncc(C(F)(F)F)cc3nn2-c2ccccn2)cn1
InChIInChI=1S/C18H12F3N5O/c1-27-15-6-5-11(9-23-15)17-16-13(8-12(10-24-16)18(19,20)21)25-26(17)14-4-2-3-7-22-14/h2-10H,1H3
InChIKeyQLIKTOBLMBNQTQ-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.90
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine

3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 53238784) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID53238784
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2c3ncc(C(F)(F)F)cc3nn2-c2ccccn2)cn1
InChIInChI=1S/C18H12F3N5O/c1-27-15-6-5-11(9-23-15)17-16-13(8-12(10-24-16)18(19,20)21)25-26(17)14-4-2-3-7-22-14/h2-10H,1H3
InChIKeyQLIKTOBLMBNQTQ-UHFFFAOYSA-N
XLogP3.90
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 53238784) is 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine is COc1ccc(-c2c3ncc(C(F)(F)F)cc3nn2-c2ccccn2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is QLIKTOBLMBNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c1-27-15-6-5-11(9-23-15)17-16-13(8-12(10-24-16)18(19,20)21)25-26(17)14-4-2-3-7-22-14/h2-10H,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 371.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 53238784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).