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

C65H77F2N21O6 — CID 159866051

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

bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 159866051) has the molecular formula C65H77F2N21O6 and a molecular weight of 1286.47 g/mol. Its IUPAC name is bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
• PubChem CID: 159866051
• Molecular Formula: C65H77F2N21O6
• Molecular Weight: 1286.47 g/mol
• Exact Mass: 1285.63
• IUPAC Name: bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
• SMILES: CCC(CC1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC([C@@H]1CC1(F)F)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
• InChI: InChI=1S/2C22H27N7O2.C21H23F2N7O2/c2*1-2-18(7-15-3-4-15)28-11-17(9-25-28)22-21-5-6-23-29(21)13-20(26-22)16-8-24-27(10-16)12-19(31)14-30;1-2-18(16-5-21(16,22)23)29-9-14(7-26-29)20-19-3-4-24-30(19)11-17(27-20)13-6-25-28(8-13)10-15(32)12-31/h2*5-6,8-11,13,15,18-19,30-31H,2-4,7,12,14H2,1H3;3-4,6-9,11,15-16,18,31-32H,2,5,10,12H2,1H3/t2*18?,19-;15-,16+,18?/m111/s1
• InChIKey: NRSWBOLSWRJEOF-VSIIWKOASA-N
• XLogP: 7.54
• TPSA: 318.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1286.47
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?

The IUPAC name of bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 159866051) is bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

What is the SMILES notation for bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?

The canonical SMILES for bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC(CC1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC(CC1CC1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.CCC([C@@H]1CC1(F)F)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.

What is the InChIKey of bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?

The InChIKey is NRSWBOLSWRJEOF-VSIIWKOASA-N. The full InChI is InChI=1S/2C22H27N7O2.C21H23F2N7O2/c2*1-2-18(7-15-3-4-15)28-11-17(9-25-28)22-21-5-6-23-29(21)13-20(26-22)16-8-24-27(10-16)12-19(31)14-30;1-2-18(16-5-21(16,22)23)29-9-14(7-26-29)20-19-3-4-24-30(19)11-17(27-20)13-6-25-28(8-13)10-15(32)12-31/h2*5-6,8-11,13,15,18-19,30-31H,2-4,7,12,14H2,1H3;3-4,6-9,11,15-16,18,31-32H,2,5,10,12H2,1H3/t2*18?,19-;15-,16+,18?/m111/s1.

What are the key properties of bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?

bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 1286.47 g/mol, XLogP of 7.54, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R)-3-[4-[4-[1-(1-cyclopropylbutan-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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 159866051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).