(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

C85H114N32O4 — CID 157417654

IUPAC(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](CO)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](N)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CN(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CNC)c3)cn3nccc23)cn1
InChIInChI=1S/2C22H30N8O.C21H28N8O.C20H26N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)14-20(26-22)16-9-24-28(11-16)13-19(15-31)27(3)4;1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4;1-4-17(5-2)28-12-16(9-25-28)21-20-6-7-23-29(20)14-19(26-21)15-8-24-27(11-15)13-18(30)10-22-3;1-3-17(4-2)27-10-15(8-24-27)20-19-5-6-22-28(19)12-18(25-20)14-7-23-26(9-14)11-16(21)13-29/h7-12,14,18-19,31H,5-6,13,15H2,1-4H3;7-12,15,18-19,31H,5-6,13-14H2,1-4H3;6-9,11-12,14,17-18,22,30H,4-5,10,13H2,1-3H3;5-10,12,16-17,29H,3-4,11,13,21H2,1-2H3/t2*19-;18-;16-/m0001/s1
InChIKeyBPARUSOCZSUFRT-QCJNAYKPSA-N
MW1648.07 g/mol
LogP10.01
Rot. Bonds35

About (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 157417654) has the molecular formula C85H114N32O4 and a molecular weight of 1648.07 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
PubChem CID157417654
Molecular FormulaC85H114N32O4
Molecular Weight1648.07 g/mol
Exact Mass1646.97
IUPAC Name(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](CO)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](N)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CN(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CNC)c3)cn3nccc23)cn1
InChIInChI=1S/2C22H30N8O.C21H28N8O.C20H26N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)14-20(26-22)16-9-24-28(11-16)13-19(15-31)27(3)4;1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4;1-4-17(5-2)28-12-16(9-25-28)21-20-6-7-23-29(20)14-19(26-21)15-8-24-27(11-15)13-18(30)10-22-3;1-3-17(4-2)27-10-15(8-24-27)20-19-5-6-22-28(19)12-18(25-20)14-7-23-26(9-14)11-16(21)13-29/h7-12,14,18-19,31H,5-6,13,15H2,1-4H3;7-12,15,18-19,31H,5-6,13-14H2,1-4H3;6-9,11-12,14,17-18,22,30H,4-5,10,13H2,1-3H3;5-10,12,16-17,29H,3-4,11,13,21H2,1-2H3/t2*19-;18-;16-/m0001/s1
InChIKeyBPARUSOCZSUFRT-QCJNAYKPSA-N
XLogP10.01
TPSA388.77 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.07
LogP ≤ 510.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol with MolForge

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Related Compounds

US10189845, Example 55
CID 121378298
US10189845, Example 58
CID 121378301
US10189845, Example 129
CID 121378368
US10189845, Example 98
CID 121378420
US10189845, Example 99
CID 121378441
US10189845, Example 184
CID 121378446
US10189845, Example 183
CID 121378452
US10189845, Example 89A
CID 121378469
US10189845, Example 68
CID 121390906
US10189845, Example 67
CID 121390908
US10189845, Example 69
CID 121390909
US10189845, Example 137
CID 121390916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (CID 157417654) is (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](CO)N(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](N)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CN(C)C)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CNC)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is BPARUSOCZSUFRT-QCJNAYKPSA-N. The full InChI is InChI=1S/2C22H30N8O.C21H28N8O.C20H26N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)14-20(26-22)16-9-24-28(11-16)13-19(15-31)27(3)4;1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4;1-4-17(5-2)28-12-16(9-25-28)21-20-6-7-23-29(20)14-19(26-21)15-8-24-27(11-15)13-18(30)10-22-3;1-3-17(4-2)27-10-15(8-24-27)20-19-5-6-22-28(19)12-18(25-20)14-7-23-26(9-14)11-16(21)13-29/h7-12,14,18-19,31H,5-6,13,15H2,1-4H3;7-12,15,18-19,31H,5-6,13-14H2,1-4H3;6-9,11-12,14,17-18,22,30H,4-5,10,13H2,1-3H3;5-10,12,16-17,29H,3-4,11,13,21H2,1-2H3/t2*19-;18-;16-/m0001/s1.
What are the key properties of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 1648.07 g/mol, XLogP of 10.01, 35 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol;(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol;(2S)-1-(methylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 157417654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).