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

C21H27N7O2 — CID 121390968

IUPAC(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCC(C)C[C@H](C)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O2/c1-14(2)6-15(3)27-10-17(8-24-27)21-20-4-5-22-28(20)12-19(25-21)16-7-23-26(9-16)11-18(30)13-29/h4-5,7-10,12,14-15,18,29-30H,6,11,13H2,1-3H3/t15-,18+/m0/s1
InChIKeyXOLGTWQACRYHDY-MAUKXSAKSA-N
MW409.49 g/mol
LogP2.42
Rot. Bonds8

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

(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121390968) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]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-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121390968
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCC(C)C[C@H](C)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O2/c1-14(2)6-15(3)27-10-17(8-24-27)21-20-4-5-22-28(20)12-19(25-21)16-7-23-26(9-16)11-18(30)13-29/h4-5,7-10,12,14-15,18,29-30H,6,11,13H2,1-3H3/t15-,18+/m0/s1
InChIKeyXOLGTWQACRYHDY-MAUKXSAKSA-N
XLogP2.42
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2S)-3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 158416132
(2R)-3-[4-[4-[1-[(2S)-butan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121390906
3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 166736532
(2R)-3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 162620684
3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride
CID 121378405
4-[1-[(2R)-4-methylpentan-2-yl]pyrazol-4-yl]-6-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 166771499
3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121378427
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391105
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 121390932
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121391064
(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378368

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]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-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121390968) is (2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]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-[(2S)-4-methylpentan-2-yl]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-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CC(C)C[C@H](C)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is XOLGTWQACRYHDY-MAUKXSAKSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-14(2)6-15(3)27-10-17(8-24-27)21-20-4-5-22-28(20)12-19(25-21)16-7-23-26(9-16)11-18(30)13-29/h4-5,7-10,12,14-15,18,29-30H,6,11,13H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 409.49 g/mol, XLogP of 2.42, 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-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121390968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).