[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol

C14H19F2N5O — CID 166104419

IUPAC[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
SMILESC[C@H]1C[C@H](CO)CN(c2cnc3cnn(CC(F)F)c3n2)C1
InChIInChI=1S/C14H19F2N5O/c1-9-2-10(8-22)6-20(5-9)13-4-17-11-3-18-21(7-12(15)16)14(11)19-13/h3-4,9-10,12,22H,2,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyCAMZBCJZXOQDEI-UWVGGRQHSA-N
MW311.34 g/mol
LogP1.55
Rot. Bonds4

About [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol

[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol (PubChem CID 166104419) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
PubChem CID166104419
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
SMILESC[C@H]1C[C@H](CO)CN(c2cnc3cnn(CC(F)F)c3n2)C1
InChIInChI=1S/C14H19F2N5O/c1-9-2-10(8-22)6-20(5-9)13-4-17-11-3-18-21(7-12(15)16)14(11)19-13/h3-4,9-10,12,22H,2,5-8H2,1H3/t9-,10-/m0/s1
InChIKeyCAMZBCJZXOQDEI-UWVGGRQHSA-N
XLogP1.55
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol 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 [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol (CID 166104419) is [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol is C[C@H]1C[C@H](CO)CN(c2cnc3cnn(CC(F)F)c3n2)C1.
What is the InChIKey of [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
The InChIKey is CAMZBCJZXOQDEI-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-9-2-10(8-22)6-20(5-9)13-4-17-11-3-18-21(7-12(15)16)14(11)19-13/h3-4,9-10,12,22H,2,5-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol has a molecular weight of 311.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 166104419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).