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

C20H14F4N4O — CID 155389696

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C20H14F4N4O/c1-29-15-4-12(7-25-9-15)11-28-19-6-14(8-26-18(19)10-27-28)13-2-3-17(21)16(5-13)20(22,23)24/h2-10H,11H2,1H3
InChIKeyNEPQCJFPGWYGRW-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.71
Rot. Bonds4

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

6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389696) has the molecular formula C20H14F4N4O and a molecular weight of 402.35 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389696
Molecular FormulaC20H14F4N4O
Molecular Weight402.35 g/mol
Exact Mass402.11
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C20H14F4N4O/c1-29-15-4-12(7-25-9-15)11-28-19-6-14(8-26-18(19)10-27-28)13-2-3-17(21)16(5-13)20(22,23)24/h2-10H,11H2,1H3
InChIKeyNEPQCJFPGWYGRW-UHFFFAOYSA-N
XLogP4.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389696) is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)(F)F)c4)cc32)c1.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is NEPQCJFPGWYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O/c1-29-15-4-12(7-25-9-15)11-28-19-6-14(8-26-18(19)10-27-28)13-2-3-17(21)16(5-13)20(22,23)24/h2-10H,11H2,1H3.
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 402.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).