(2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol

C22H27N7O2 — CID 121390976

IUPAC(2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCC[C@@H](C1CCC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N7O2/c1-2-20(15-4-3-5-15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t18-,20+/m1/s1
InChIKeyRMZLLPSCCIOKBY-QUCCMNQESA-N
MW421.51 g/mol
LogP2.56
Rot. Bonds8

About (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol

(2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121390976) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121390976
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name(2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCC[C@@H](C1CCC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N7O2/c1-2-20(15-4-3-5-15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t18-,20+/m1/s1
InChIKeyRMZLLPSCCIOKBY-QUCCMNQESA-N
XLogP2.56
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121390976) is (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CC[C@@H](C1CCC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is RMZLLPSCCIOKBY-QUCCMNQESA-N. The full InChI is InChI=1S/C22H27N7O2/c1-2-20(15-4-3-5-15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t18-,20+/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 421.51 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[4-[1-[(1S)-1-cyclobutylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121390976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).