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

C20H15F3N4 — CID 155388785

IUPAC1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESCc1ccncc1Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4/c1-13-5-6-24-9-16(13)12-27-19-8-15(10-25-18(19)11-26-27)14-3-2-4-17(7-14)20(21,22)23/h2-11H,12H2,1H3
InChIKeyCSLUVMIHJNHUMM-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.87
Rot. Bonds3

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

1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388785) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID155388785
Molecular FormulaC20H15F3N4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESCc1ccncc1Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4/c1-13-5-6-24-9-16(13)12-27-19-8-15(10-25-18(19)11-26-27)14-3-2-4-17(7-14)20(21,22)23/h2-11H,12H2,1H3
InChIKeyCSLUVMIHJNHUMM-UHFFFAOYSA-N
XLogP4.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 155388785) is 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is Cc1ccncc1Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is CSLUVMIHJNHUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c1-13-5-6-24-9-16(13)12-27-19-8-15(10-25-18(19)11-26-27)14-3-2-4-17(7-14)20(21,22)23/h2-11H,12H2,1H3.
What are the key properties of 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 368.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).