6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine

C19H13F3N4O — CID 155389101

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4ccccn4)c3c2)cc1OC(F)F
InChIInChI=1S/C19H13F3N4O/c20-15-5-4-12(8-18(15)27-19(21)22)13-7-17-16(24-9-13)10-25-26(17)11-14-3-1-2-6-23-14/h1-10,19H,11H2
InChIKeyDLNSIKJOLXBRTG-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.28
Rot. Bonds5

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155389101) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155389101
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4ccccn4)c3c2)cc1OC(F)F
InChIInChI=1S/C19H13F3N4O/c20-15-5-4-12(8-18(15)27-19(21)22)13-7-17-16(24-9-13)10-25-26(17)11-14-3-1-2-6-23-14/h1-10,19H,11H2
InChIKeyDLNSIKJOLXBRTG-UHFFFAOYSA-N
XLogP4.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
Dihydropyrrolopyrazole, 7f
CID 21992672
Jnj-42259152
CID 51353528
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methoxy-1-(pyrazin-2-ylmethyl)indazole
CID 134611931
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
4,5-Diethyl-14-methoxy-17-pentyl-6,17-diaza-7-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 10076856

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155389101) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4ccccn4)c3c2)cc1OC(F)F.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is DLNSIKJOLXBRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-15-5-4-12(8-18(15)27-19(21)22)13-7-17-16(24-9-13)10-25-26(17)11-14-3-1-2-6-23-14/h1-10,19H,11H2.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 370.33 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).