6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine

C22H20F3N5O2 — CID 155389282

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cnn(C5CCCCO5)c4)c3c2)cc1OC(F)F
InChIInChI=1S/C22H20F3N5O2/c23-17-5-4-15(8-20(17)32-22(24)25)16-7-19-18(26-10-16)11-28-29(19)12-14-9-27-30(13-14)21-3-1-2-6-31-21/h4-5,7-11,13,21-22H,1-3,6,12H2
InChIKeySJHDVUQOAJPRMJ-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.78
Rot. Bonds6

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389282) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389282
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cnn(C5CCCCO5)c4)c3c2)cc1OC(F)F
InChIInChI=1S/C22H20F3N5O2/c23-17-5-4-15(8-20(17)32-22(24)25)16-7-19-18(26-10-16)11-28-29(19)12-14-9-27-30(13-14)21-3-1-2-6-31-21/h4-5,7-11,13,21-22H,1-3,6,12H2
InChIKeySJHDVUQOAJPRMJ-UHFFFAOYSA-N
XLogP4.78
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine (CID 155389282) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cnn(C5CCCCO5)c4)c3c2)cc1OC(F)F.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is SJHDVUQOAJPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-17-5-4-15(8-20(17)32-22(24)25)16-7-19-18(26-10-16)11-28-29(19)12-14-9-27-30(13-14)21-3-1-2-6-31-21/h4-5,7-11,13,21-22H,1-3,6,12H2.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 443.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).