6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine

C23H23F2N5O2 — CID 140527517

IUPAC6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine
SMILESCCC1COCCC1n1ncc2ccc(-c3ccnn3-c3ccc(OC(F)F)cc3)nc21
InChIInChI=1S/C23H23F2N5O2/c1-2-15-14-31-12-10-20(15)30-22-16(13-27-30)3-8-19(28-22)21-9-11-26-29(21)17-4-6-18(7-5-17)32-23(24)25/h3-9,11,13,15,20,23H,2,10,12,14H2,1H3
InChIKeyOIQJJFXIICUQMO-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.87
Rot. Bonds6

About 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine

6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine (PubChem CID 140527517) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine
PubChem CID140527517
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine
SMILESCCC1COCCC1n1ncc2ccc(-c3ccnn3-c3ccc(OC(F)F)cc3)nc21
InChIInChI=1S/C23H23F2N5O2/c1-2-15-14-31-12-10-20(15)30-22-16(13-27-30)3-8-19(28-22)21-9-11-26-29(21)17-4-6-18(7-5-17)32-23(24)25/h3-9,11,13,15,20,23H,2,10,12,14H2,1H3
InChIKeyOIQJJFXIICUQMO-UHFFFAOYSA-N
XLogP4.87
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
Ksq-4279
CID 150782011
Methyl substituted pyrazole, 27
CID 23648674
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Methyl substituted pyrazole, 28
CID 23648676
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine (CID 140527517) is 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine is CCC1COCCC1n1ncc2ccc(-c3ccnn3-c3ccc(OC(F)F)cc3)nc21.
What is the InChIKey of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is OIQJJFXIICUQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-2-15-14-31-12-10-20(15)30-22-16(13-27-30)3-8-19(28-22)21-9-11-26-29(21)17-4-6-18(7-5-17)32-23(24)25/h3-9,11,13,15,20,23H,2,10,12,14H2,1H3.
What are the key properties of 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine?
6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 439.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(difluoromethoxy)phenyl]pyrazol-3-yl]-1-(3-ethyloxan-4-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 140527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).