1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

C19H11F5N4 — CID 155389112

IUPAC1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C19H11F5N4/c20-14-3-11(6-25-8-14)10-28-18-5-13(7-26-17(18)9-27-28)12-1-2-16(21)15(4-12)19(22,23)24/h1-9H,10H2
InChIKeyNXYSEHBOBXJEJS-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.84
Rot. Bonds3

About 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389112) has the molecular formula C19H11F5N4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID155389112
Molecular FormulaC19H11F5N4
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C19H11F5N4/c20-14-3-11(6-25-8-14)10-28-18-5-13(7-26-17(18)9-27-28)12-1-2-16(21)15(4-12)19(22,23)24/h1-9H,10H2
InChIKeyNXYSEHBOBXJEJS-UHFFFAOYSA-N
XLogP4.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 155389112) is 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is Fc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)(F)F)c4)cc32)c1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is NXYSEHBOBXJEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4/c20-14-3-11(6-25-8-14)10-28-18-5-13(7-26-17(18)9-27-28)12-1-2-16(21)15(4-12)19(22,23)24/h1-9H,10H2.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 390.32 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)methyl]-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).