3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile

C17H13F3N4 — CID 2323933

IUPAC3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile
SMILESCc1nn(CCC#N)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H13F3N4/c1-11-15-13(17(18,19)20)10-14(12-6-3-2-4-7-12)22-16(15)24(23-11)9-5-8-21/h2-4,6-7,10H,5,9H2,1H3
InChIKeyYRBYPGFONOAZER-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.34
Rot. Bonds3

About 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile

3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile (PubChem CID 2323933) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile
PubChem CID2323933
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC Name3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile
SMILESCc1nn(CCC#N)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H13F3N4/c1-11-15-13(17(18,19)20)10-14(12-6-3-2-4-7-12)22-16(15)24(23-11)9-5-8-21/h2-4,6-7,10H,5,9H2,1H3
InChIKeyYRBYPGFONOAZER-UHFFFAOYSA-N
XLogP4.34
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile?
The IUPAC name of 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile (CID 2323933) is 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile?
The canonical SMILES for 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile is Cc1nn(CCC#N)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile?
The InChIKey is YRBYPGFONOAZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c1-11-15-13(17(18,19)20)10-14(12-6-3-2-4-7-12)22-16(15)24(23-11)9-5-8-21/h2-4,6-7,10H,5,9H2,1H3.
What are the key properties of 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile?
3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile has a molecular weight of 330.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanenitrile is sourced from PubChem (CID 2323933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).