5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile

C20H12F3N5O — CID 155388752

IUPAC5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H12F3N5O/c21-16-2-1-14(5-19(16)29-20(22)23)15-4-18-17(26-9-15)10-27-28(18)11-13-3-12(6-24)7-25-8-13/h1-5,7-10,20H,11H2
InChIKeyUQRYHIAYRGAVJZ-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.15
Rot. Bonds5

About 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile

5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 155388752) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID155388752
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H12F3N5O/c21-16-2-1-14(5-19(16)29-20(22)23)15-4-18-17(26-9-15)10-27-28(18)11-13-3-12(6-24)7-25-8-13/h1-5,7-10,20H,11H2
InChIKeyUQRYHIAYRGAVJZ-UHFFFAOYSA-N
XLogP4.15
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile (CID 155388752) is 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is UQRYHIAYRGAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-16-2-1-14(5-19(16)29-20(22)23)15-4-18-17(26-9-15)10-27-28(18)11-13-3-12(6-24)7-25-8-13/h1-5,7-10,20H,11H2.
What are the key properties of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 395.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155388752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).