5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C20H22F2N4O2 — CID 142608392

IUPAC5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(-c3cccc(OC(F)F)c3)cc(NC3CCOC3)c21
InChIInChI=1S/C20H22F2N4O2/c1-12(2)26-19-17(24-14-6-7-27-11-14)9-16(25-18(19)10-23-26)13-4-3-5-15(8-13)28-20(21)22/h3-5,8-10,12,14,20H,6-7,11H2,1-2H3,(H,24,25)
InChIKeyLJAABDRXLATXLP-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.48
Rot. Bonds6

About 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 142608392) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID142608392
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(-c3cccc(OC(F)F)c3)cc(NC3CCOC3)c21
InChIInChI=1S/C20H22F2N4O2/c1-12(2)26-19-17(24-14-6-7-27-11-14)9-16(25-18(19)10-23-26)13-4-3-5-15(8-13)28-20(21)22/h3-5,8-10,12,14,20H,6-7,11H2,1-2H3,(H,24,25)
InChIKeyLJAABDRXLATXLP-UHFFFAOYSA-N
XLogP4.48
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-[3-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732417
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
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CID 24955343
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-6-oxido-1H-pyrazolo[3,4-c]pyridin-6-ium
CID 23647439

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 142608392) is 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CC(C)n1ncc2nc(-c3cccc(OC(F)F)c3)cc(NC3CCOC3)c21.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is LJAABDRXLATXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-12(2)26-19-17(24-14-6-7-27-11-14)9-16(25-18(19)10-23-26)13-4-3-5-15(8-13)28-20(21)22/h3-5,8-10,12,14,20H,6-7,11H2,1-2H3,(H,24,25).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 388.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-N-(oxolan-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142608392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).