(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one

C14H14F2N8O2 — CID 168752175

IUPAC(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CN1
InChIInChI=1S/C14H14F2N8O2/c15-14(16)26-12-2-9(22-23-12)20-10-5-17-8-4-19-24(13(8)21-10)6-7-1-11(25)18-3-7/h2,4-5,7,14H,1,3,6H2,(H,18,25)(H2,20,21,22,23)/t7-/m1/s1
InChIKeyZOUVNDDGBYCQJN-SSDOTTSWSA-N
MW364.32 g/mol
LogP1.03
Rot. Bonds6

About (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one

(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 168752175) has the molecular formula C14H14F2N8O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID168752175
Molecular FormulaC14H14F2N8O2
Molecular Weight364.32 g/mol
Exact Mass364.12
IUPAC Name(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CN1
InChIInChI=1S/C14H14F2N8O2/c15-14(16)26-12-2-9(22-23-12)20-10-5-17-8-4-19-24(13(8)21-10)6-7-1-11(25)18-3-7/h2,4-5,7,14H,1,3,6H2,(H,18,25)(H2,20,21,22,23)/t7-/m1/s1
InChIKeyZOUVNDDGBYCQJN-SSDOTTSWSA-N
XLogP1.03
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752072
1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752074
4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol
CID 168752193
(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile
CID 169290506
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-[(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-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752181
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751940
(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
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
CID 171838639
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 (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one (CID 168752175) is (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one is O=C1C[C@@H](Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CN1.
What is the InChIKey of (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZOUVNDDGBYCQJN-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H14F2N8O2/c15-14(16)26-12-2-9(22-23-12)20-10-5-17-8-4-19-24(13(8)21-10)6-7-1-11(25)18-3-7/h2,4-5,7,14H,1,3,6H2,(H,18,25)(H2,20,21,22,23)/t7-/m1/s1.
What are the key properties of (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one?
(4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 364.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168752175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).