(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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol

C82H100F4N28O8 — CID 158832683

IUPAC(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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CCO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CCO)c3)cn3nccc23)cn1.CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.CC[C@H](n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/2C21H27N7O2.2C20H23F2N7O2/c2*1-3-17(4-2)27-12-16(10-24-27)21-20-5-7-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(30)6-8-29;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/h2*5,7,9-12,14,17-18,29-30H,3-4,6,8,13H2,1-2H3;2*4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t2*18-;15-,18?;15-,18+/m1011/s1
InChIKeyIXFYMTUCZIFYJG-XZKWUPBISA-N
MW1681.88 g/mol
LogP9.95
Rot. Bonds34

About (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol (PubChem CID 158832683) has the molecular formula C82H100F4N28O8 and a molecular weight of 1681.88 g/mol. Its IUPAC name is (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol.

Molecular Properties

Compound Name(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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol
PubChem CID158832683
Molecular FormulaC82H100F4N28O8
Molecular Weight1681.88 g/mol
Exact Mass1680.82
IUPAC Name(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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CCO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CCO)c3)cn3nccc23)cn1.CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.CC[C@H](n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/2C21H27N7O2.2C20H23F2N7O2/c2*1-3-17(4-2)27-12-16(10-24-27)21-20-5-7-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(30)6-8-29;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/h2*5,7,9-12,14,17-18,29-30H,3-4,6,8,13H2,1-2H3;2*4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t2*18-;15-,18?;15-,18+/m1011/s1
InChIKeyIXFYMTUCZIFYJG-XZKWUPBISA-N
XLogP9.95
TPSA425.16 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001681.88
LogP ≤ 59.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-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-(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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
The IUPAC name of (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol (CID 158832683) is (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol.
What is the SMILES notation for (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
The canonical SMILES for (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CCO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CCO)c3)cn3nccc23)cn1.CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.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-(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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
The InChIKey is IXFYMTUCZIFYJG-XZKWUPBISA-N. The full InChI is InChI=1S/2C21H27N7O2.2C20H23F2N7O2/c2*1-3-17(4-2)27-12-16(10-24-27)21-20-5-7-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(30)6-8-29;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/h2*5,7,9-12,14,17-18,29-30H,3-4,6,8,13H2,1-2H3;2*4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t2*18-;15-,18?;15-,18+/m1011/s1.
What are the key properties of (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol has a molecular weight of 1681.88 g/mol, XLogP of 9.95, 34 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol;(3S)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol is sourced from PubChem (CID 158832683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).