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

C82H94F6N28O8 — CID 159042870

IUPACbis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCCC(C1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(C1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1.CC[C@@H](CC(F)(F)F)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1
InChIInChI=1S/2C21H25N7O2.2C20H22F3N7O2/c2*1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)12-18(25-21)15-7-23-26(9-15)11-17(30)13-29;2*1-2-15(5-20(21,22)23)28-9-14(7-26-28)19-18-3-4-24-30(18)10-17(27-19)13-6-25-29(8-13)16(11-31)12-32/h2*5-10,12,14,17,19,29-30H,2-4,11,13H2,1H3;2*3-4,6-10,15-16,31-32H,2,5,11-12H2,1H3/t2*17-,19?;15-;/m110./s1
InChIKeyJWHBZNNIGZSLAL-DOMALIBNSA-N
MW1713.83 g/mol
LogP10.11
Rot. Bonds32

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

bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol (PubChem CID 159042870) has the molecular formula C82H94F6N28O8 and a molecular weight of 1713.83 g/mol. Its IUPAC name is bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Namebis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
PubChem CID159042870
Molecular FormulaC82H94F6N28O8
Molecular Weight1713.83 g/mol
Exact Mass1712.77
IUPAC Namebis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCCC(C1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(C1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1.CC[C@@H](CC(F)(F)F)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1
InChIInChI=1S/2C21H25N7O2.2C20H22F3N7O2/c2*1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)12-18(25-21)15-7-23-26(9-15)11-17(30)13-29;2*1-2-15(5-20(21,22)23)28-9-14(7-26-28)19-18-3-4-24-30(18)10-17(27-19)13-6-25-29(8-13)16(11-31)12-32/h2*5-10,12,14,17,19,29-30H,2-4,11,13H2,1H3;2*3-4,6-10,15-16,31-32H,2,5,11-12H2,1H3/t2*17-,19?;15-;/m110./s1
InChIKeyJWHBZNNIGZSLAL-DOMALIBNSA-N
XLogP10.11
TPSA425.16 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001713.83
LogP ≤ 510.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

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

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Launch Full Analysis

Related Compounds

US10189845, Example 198A
CID 121378296
US10189845, Example 194A
CID 121378403
US11028093, Example 194
CID 121390939
US10189845, Example 204A
CID 121390949
US10189845, Example 210B
CID 121391017
US10189845, Example 193
CID 121391030
US11028093, Example 198
CID 121391031
US10189845, Example 79
CID 121391049
US10189845, Example 209A
CID 121391116
US10730880, Example 209
CID 155883688
US10189845, Example 216
CID 121378477
US11028093, Example 205
CID 121390950

Frequently Asked Questions

What is the IUPAC name of bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The IUPAC name of bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol (CID 159042870) is bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol is CCC(C1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(C1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1.CC[C@@H](CC(F)(F)F)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1.
What is the InChIKey of bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The InChIKey is JWHBZNNIGZSLAL-DOMALIBNSA-N. The full InChI is InChI=1S/2C21H25N7O2.2C20H22F3N7O2/c2*1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)12-18(25-21)15-7-23-26(9-15)11-17(30)13-29;2*1-2-15(5-20(21,22)23)28-9-14(7-26-28)19-18-3-4-24-30(18)10-17(27-19)13-6-25-29(8-13)16(11-31)12-32/h2*5-10,12,14,17,19,29-30H,2-4,11,13H2,1H3;2*3-4,6-10,15-16,31-32H,2,5,11-12H2,1H3/t2*17-,19?;15-;/m110./s1.
What are the key properties of bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol has a molecular weight of 1713.83 g/mol, XLogP of 10.11, 32 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-3-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol);2-[4-[4-[1-[(3S)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[4-[1-[(3R)-1,1,1-trifluoropentan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 159042870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).