(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol

C62H75F2N21O6 — CID 158297141

IUPAC(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCC(C)[C@H](C)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(C1CC(F)(F)C1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H25F2N7O2.2C20H25N7O2/c1-2-19(14-5-22(23,24)6-14)30-10-16(8-27-30)21-20-3-4-25-31(20)12-18(28-21)15-7-26-29(9-15)11-17(33)13-32;1-13(2)14(3)26-9-16(7-23-26)20-19-4-5-21-27(19)11-18(24-20)15-6-22-25(8-15)10-17(29)12-28;1-3-16(4-2)25-10-15(8-23-25)20-19-5-6-21-27(19)11-18(24-20)14-7-22-26(9-14)17(12-28)13-29/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3;4-9,11,13-14,17,28-29H,10,12H2,1-3H3;5-11,16-17,28-29H,3-4,12-13H2,1-2H3/t17-,19?;14-,17+;/m10./s1
InChIKeyGMAYOELKSRTYMP-TZXCZFANSA-N
MW1248.42 g/mol
LogP7.18
Rot. Bonds23

About (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol

(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol (PubChem CID 158297141) has the molecular formula C62H75F2N21O6 and a molecular weight of 1248.42 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
PubChem CID158297141
Molecular FormulaC62H75F2N21O6
Molecular Weight1248.42 g/mol
Exact Mass1247.62
IUPAC Name(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCC(C)[C@H](C)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(C1CC(F)(F)C1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H25F2N7O2.2C20H25N7O2/c1-2-19(14-5-22(23,24)6-14)30-10-16(8-27-30)21-20-3-4-25-31(20)12-18(28-21)15-7-26-29(9-15)11-17(33)13-32;1-13(2)14(3)26-9-16(7-23-26)20-19-4-5-21-27(19)11-18(24-20)15-6-22-25(8-15)10-17(29)12-28;1-3-16(4-2)25-10-15(8-23-25)20-19-5-6-21-27(19)11-18(24-20)14-7-22-26(9-14)17(12-28)13-29/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3;4-9,11,13-14,17,28-29H,10,12H2,1-3H3;5-11,16-17,28-29H,3-4,12-13H2,1-2H3/t17-,19?;14-,17+;/m10./s1
InChIKeyGMAYOELKSRTYMP-TZXCZFANSA-N
XLogP7.18
TPSA318.87 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001248.42
LogP ≤ 57.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol with MolForge

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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 111
CID 121391091
US10189845, Example 211A
CID 121391103
US10189845, Example 209A
CID 121391116
US10189845, Example 212B
CID 121391121

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The IUPAC name of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol (CID 158297141) is (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol is CC(C)[C@H](C)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(C1CC(F)(F)C1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The InChIKey is GMAYOELKSRTYMP-TZXCZFANSA-N. The full InChI is InChI=1S/C22H25F2N7O2.2C20H25N7O2/c1-2-19(14-5-22(23,24)6-14)30-10-16(8-27-30)21-20-3-4-25-31(20)12-18(28-21)15-7-26-29(9-15)11-17(33)13-32;1-13(2)14(3)26-9-16(7-23-26)20-19-4-5-21-27(19)11-18(24-20)15-6-22-25(8-15)10-17(29)12-28;1-3-16(4-2)25-10-15(8-23-25)20-19-5-6-21-27(19)11-18(24-20)14-7-22-26(9-14)17(12-28)13-29/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3;4-9,11,13-14,17,28-29H,10,12H2,1-3H3;5-11,16-17,28-29H,3-4,12-13H2,1-2H3/t17-,19?;14-,17+;/m10./s1.
What are the key properties of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol has a molecular weight of 1248.42 g/mol, XLogP of 7.18, 23 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-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2S)-3-methylbutan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 158297141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).