(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol

C14H17F2N7O2 — CID 168751902

IUPAC(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol
SMILESCC[C@H]([C@H](C)O)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C14H17F2N7O2/c1-3-9(7(2)24)23-13-8(5-18-23)17-6-11(20-13)19-10-4-12(22-21-10)25-14(15)16/h4-7,9,14,24H,3H2,1-2H3,(H2,19,20,21,22)/t7-,9+/m0/s1
InChIKeyPZCXXLGJNNBDGA-IONNQARKSA-N
MW353.33 g/mol
LogP2.23
Rot. Bonds7

About (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol

(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol (PubChem CID 168751902) has the molecular formula C14H17F2N7O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol
PubChem CID168751902
Molecular FormulaC14H17F2N7O2
Molecular Weight353.33 g/mol
Exact Mass353.14
IUPAC Name(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol
SMILESCC[C@H]([C@H](C)O)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C14H17F2N7O2/c1-3-9(7(2)24)23-13-8(5-18-23)17-6-11(20-13)19-10-4-12(22-21-10)25-14(15)16/h4-7,9,14,24H,3H2,1-2H3,(H2,19,20,21,22)/t7-,9+/m0/s1
InChIKeyPZCXXLGJNNBDGA-IONNQARKSA-N
XLogP2.23
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol?
The IUPAC name of (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol (CID 168751902) is (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol.
What is the SMILES notation for (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol?
The canonical SMILES for (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol is CC[C@H]([C@H](C)O)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21.
What is the InChIKey of (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol?
The InChIKey is PZCXXLGJNNBDGA-IONNQARKSA-N. The full InChI is InChI=1S/C14H17F2N7O2/c1-3-9(7(2)24)23-13-8(5-18-23)17-6-11(20-13)19-10-4-12(22-21-10)25-14(15)16/h4-7,9,14,24H,3H2,1-2H3,(H2,19,20,21,22)/t7-,9+/m0/s1.
What are the key properties of (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol?
(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol has a molecular weight of 353.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol is sourced from PubChem (CID 168751902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).