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

C63H77F2N21O6 — CID 162077700

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;(2S)-3-[4-[4-[1-[(2R)-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.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
InChIInChI=1S/C22H25F2N7O2.C21H27N7O2.C20H25N7O2/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;1-14(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;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/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3;4-5,7-10,12,14-15,18,29-30H,6,11,13H2,1-3H3;4-9,11,13-14,17,28-29H,10,12H2,1-3H3/t17-,19?;15-,18+;14-,17+/m110/s1
InChIKeyZBXPUJIFJZMLEO-LCRDJKLDSA-N
MW1262.45 g/mol
LogP7.25
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;(2S)-3-[4-[4-[1-[(2R)-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-[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;(2S)-3-[4-[4-[1-[(2R)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 162077700) has the molecular formula C63H77F2N21O6 and a molecular weight of 1262.45 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;(2S)-3-[4-[4-[1-[(2R)-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-[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;(2S)-3-[4-[4-[1-[(2R)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID162077700
Molecular FormulaC63H77F2N21O6
Molecular Weight1262.45 g/mol
Exact Mass1261.63
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;(2S)-3-[4-[4-[1-[(2R)-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.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
InChIInChI=1S/C22H25F2N7O2.C21H27N7O2.C20H25N7O2/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;1-14(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;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/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3;4-5,7-10,12,14-15,18,29-30H,6,11,13H2,1-3H3;4-9,11,13-14,17,28-29H,10,12H2,1-3H3/t17-,19?;15-,18+;14-,17+/m110/s1
InChIKeyZBXPUJIFJZMLEO-LCRDJKLDSA-N
XLogP7.25
TPSA318.87 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001262.45
LogP ≤ 57.25
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;(2S)-3-[4-[4-[1-[(2R)-4-methylpentan-2-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-[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;(2S)-3-[4-[4-[1-[(2R)-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-[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;(2S)-3-[4-[4-[1-[(2R)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 162077700) 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;(2S)-3-[4-[4-[1-[(2R)-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-[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;(2S)-3-[4-[4-[1-[(2R)-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-[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;(2S)-3-[4-[4-[1-[(2R)-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.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.
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;(2S)-3-[4-[4-[1-[(2R)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is ZBXPUJIFJZMLEO-LCRDJKLDSA-N. The full InChI is InChI=1S/C22H25F2N7O2.C21H27N7O2.C20H25N7O2/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;1-14(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;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/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3;4-5,7-10,12,14-15,18,29-30H,6,11,13H2,1-3H3;4-9,11,13-14,17,28-29H,10,12H2,1-3H3/t17-,19?;15-,18+;14-,17+/m110/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;(2S)-3-[4-[4-[1-[(2R)-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-[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;(2S)-3-[4-[4-[1-[(2R)-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 1262.45 g/mol, XLogP of 7.25, 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;(2S)-3-[4-[4-[1-[(2R)-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 162077700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).