4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol

C15H17F2N7O2 — CID 168752193

IUPAC4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CC1
InChIInChI=1S/C15H17F2N7O2/c16-15(17)26-13-5-11(22-23-13)20-12-7-18-10-6-19-24(14(10)21-12)8-1-3-9(25)4-2-8/h5-9,15,25H,1-4H2,(H2,20,21,22,23)
InChIKeyGTVIUGIUIWTDKF-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.37
Rot. Bonds5

About 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol

4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol (PubChem CID 168752193) has the molecular formula C15H17F2N7O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol
PubChem CID168752193
Molecular FormulaC15H17F2N7O2
Molecular Weight365.34 g/mol
Exact Mass365.14
IUPAC Name4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CC1
InChIInChI=1S/C15H17F2N7O2/c16-15(17)26-13-5-11(22-23-13)20-12-7-18-10-6-19-24(14(10)21-12)8-1-3-9(25)4-2-8/h5-9,15,25H,1-4H2,(H2,20,21,22,23)
InChIKeyGTVIUGIUIWTDKF-UHFFFAOYSA-N
XLogP2.37
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

trans-(1R,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclopentan-1-ol
CID 168751938
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752138
1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752072
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752181
1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752074
(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one
CID 168752175
(2S)-3-[4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenyl]-2-methylpropan-1-ol
CID 175545348
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752077
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751940
(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile
CID 169290506
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
tert-butyl 3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazin-2-yl]oxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 178069710

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol (CID 168752193) is 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol is OC1CCC(n2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CC1.
What is the InChIKey of 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol?
The InChIKey is GTVIUGIUIWTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N7O2/c16-15(17)26-13-5-11(22-23-13)20-12-7-18-10-6-19-24(14(10)21-12)8-1-3-9(25)4-2-8/h5-9,15,25H,1-4H2,(H2,20,21,22,23).
What are the key properties of 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol?
4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol has a molecular weight of 365.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 168752193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).