(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile

C15H14F2N8O2 — CID 169290506

IUPAC(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile
SMILESN#C[C@@]1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CCOC1
InChIInChI=1S/C15H14F2N8O2/c16-14(17)27-12-3-10(23-24-12)21-11-5-19-9-4-20-25(13(9)22-11)7-15(6-18)1-2-26-8-15/h3-5,14H,1-2,7-8H2,(H2,21,22,23,24)/t15-/m1/s1
InChIKeyJPAXRJVTMDQXDR-OAHLLOKOSA-N
MW376.33 g/mol
LogP1.82
Rot. Bonds6

About (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile

(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile (PubChem CID 169290506) has the molecular formula C15H14F2N8O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile
PubChem CID169290506
Molecular FormulaC15H14F2N8O2
Molecular Weight376.33 g/mol
Exact Mass376.12
IUPAC Name(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile
SMILESN#C[C@@]1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CCOC1
InChIInChI=1S/C15H14F2N8O2/c16-14(17)27-12-3-10(23-24-12)21-11-5-19-9-4-20-25(13(9)22-11)7-15(6-18)1-2-26-8-15/h3-5,14H,1-2,7-8H2,(H2,21,22,23,24)/t15-/m1/s1
InChIKeyJPAXRJVTMDQXDR-OAHLLOKOSA-N
XLogP1.82
TPSA126.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile?
The IUPAC name of (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile (CID 169290506) is (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile.
What is the SMILES notation for (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile?
The canonical SMILES for (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile is N#C[C@@]1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CCOC1.
What is the InChIKey of (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile?
The InChIKey is JPAXRJVTMDQXDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14F2N8O2/c16-14(17)27-12-3-10(23-24-12)21-11-5-19-9-4-20-25(13(9)22-11)7-15(6-18)1-2-26-8-15/h3-5,14H,1-2,7-8H2,(H2,21,22,23,24)/t15-/m1/s1.
What are the key properties of (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile?
(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile has a molecular weight of 376.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile is sourced from PubChem (CID 169290506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).