N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine

C14H15F2N7O2 — CID 168752098

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn([C@@H]4CCCOC4)c3n2)[nH]n1
InChIInChI=1S/C14H15F2N7O2/c15-14(16)25-12-4-10(21-22-12)19-11-6-17-9-5-18-23(13(9)20-11)8-2-1-3-24-7-8/h4-6,8,14H,1-3,7H2,(H2,19,20,21,22)/t8-/m1/s1
InChIKeyCPMQVFQHGBZDGD-MRVPVSSYSA-N
MW351.32 g/mol
LogP2.25
Rot. Bonds5

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752098) has the molecular formula C14H15F2N7O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752098
Molecular FormulaC14H15F2N7O2
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn([C@@H]4CCCOC4)c3n2)[nH]n1
InChIInChI=1S/C14H15F2N7O2/c15-14(16)25-12-4-10(21-22-12)19-11-6-17-9-5-18-23(13(9)20-11)8-2-1-3-24-7-8/h4-6,8,14H,1-3,7H2,(H2,19,20,21,22)/t8-/m1/s1
InChIKeyCPMQVFQHGBZDGD-MRVPVSSYSA-N
XLogP2.25
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168752098) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn([C@@H]4CCCOC4)c3n2)[nH]n1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is CPMQVFQHGBZDGD-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15F2N7O2/c15-14(16)25-12-4-10(21-22-12)19-11-6-17-9-5-18-23(13(9)20-11)8-2-1-3-24-7-8/h4-6,8,14H,1-3,7H2,(H2,19,20,21,22)/t8-/m1/s1.
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 351.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3R)-oxan-3-yl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).