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

C62H73F4N21O6 — CID 161160630

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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.CC[C@@H](C1CCC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CC[C@H](n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/C22H27N7O2.2C20H23F2N7O2/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;2*1-3-18(20(2,21)22)29-9-14(7-25-29)19-17-4-5-23-28(17)11-16(26-19)13-6-24-27(8-13)10-15(31)12-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3;2*4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t18-,20+;15-,18?;15-,18+/m111/s1
InChIKeyUPWHZEUZIRTFMJ-SUIRMINJSA-N
MW1284.40 g/mol
LogP7.39
Rot. Bonds24

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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 161160630) has the molecular formula C62H73F4N21O6 and a molecular weight of 1284.40 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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-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-[(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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID161160630
Molecular FormulaC62H73F4N21O6
Molecular Weight1284.40 g/mol
Exact Mass1283.60
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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.CC[C@@H](C1CCC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CC[C@H](n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/C22H27N7O2.2C20H23F2N7O2/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;2*1-3-18(20(2,21)22)29-9-14(7-25-29)19-17-4-5-23-28(17)11-16(26-19)13-6-24-27(8-13)10-15(31)12-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3;2*4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t18-,20+;15-,18?;15-,18+/m111/s1
InChIKeyUPWHZEUZIRTFMJ-SUIRMINJSA-N
XLogP7.39
TPSA318.87 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001284.40
LogP ≤ 57.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-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-[(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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 161160630) 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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-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-[(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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-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-[(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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.CC[C@@H](C1CCC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CC[C@H](n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.
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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is UPWHZEUZIRTFMJ-SUIRMINJSA-N. The full InChI is InChI=1S/C22H27N7O2.2C20H23F2N7O2/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;2*1-3-18(20(2,21)22)29-9-14(7-25-29)19-17-4-5-23-28(17)11-16(26-19)13-6-24-27(8-13)10-15(31)12-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3;2*4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t18-,20+;15-,18?;15-,18+/m111/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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 1284.40 g/mol, XLogP of 7.39, 24 rotatable bonds, 6 hydrogen bond donors, and 27 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;(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(3S)-2,2-difluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 161160630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).