2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol

C83H106N28O8 — CID 157265395

IUPAC2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(C)(O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(CO)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)[C@@H](C)O)c3)cn3nccc23)cn1
InChIInChI=1S/3C21H27N7O2.C20H25N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29;1-4-17(5-2)27-11-16(9-24-27)21-19-6-7-22-28(19)12-18(25-21)15-8-23-26(10-15)13-20(30)14(3)29;1-3-18(4-2)27-11-17(8-24-27)21-20-5-6-22-28(20)12-19(25-21)16-7-23-26(10-16)9-15(13-29)14-30;1-3-16(4-2)26-10-15(8-23-26)20-19-5-6-21-27(19)12-18(24-20)14-7-22-25(9-14)11-17(29)13-28/h6-12,17,29-30H,4-5,13-14H2,1-3H3;6-12,14,17,20,29-30H,4-5,13H2,1-3H3;5-8,10-12,15,18,29-30H,3-4,9,13-14H2,1-2H3;5-10,12,16-17,28-29H,3-4,11,13H2,1-2H3/t;14-,20-;;/m.1../s1
InChIKeyAXXXMHNZPZXLGK-VPDLZKOJSA-N
MW1623.95 g/mol
LogP9.71
Rot. Bonds33

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

2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 157265395) has the molecular formula C83H106N28O8 and a molecular weight of 1623.95 g/mol. Its IUPAC name is 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID157265395
Molecular FormulaC83H106N28O8
Molecular Weight1623.95 g/mol
Exact Mass1622.87
IUPAC Name2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(C)(O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(CO)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)[C@@H](C)O)c3)cn3nccc23)cn1
InChIInChI=1S/3C21H27N7O2.C20H25N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29;1-4-17(5-2)27-11-16(9-24-27)21-19-6-7-22-28(19)12-18(25-21)15-8-23-26(10-15)13-20(30)14(3)29;1-3-18(4-2)27-11-17(8-24-27)21-20-5-6-22-28(20)12-19(25-21)16-7-23-26(10-16)9-15(13-29)14-30;1-3-16(4-2)26-10-15(8-23-26)20-19-5-6-21-27(19)12-18(24-20)14-7-22-25(9-14)11-17(29)13-28/h6-12,17,29-30H,4-5,13-14H2,1-3H3;6-12,14,17,20,29-30H,4-5,13H2,1-3H3;5-8,10-12,15,18,29-30H,3-4,9,13-14H2,1-2H3;5-10,12,16-17,28-29H,3-4,11,13H2,1-2H3/t;14-,20-;;/m.1../s1
InChIKeyAXXXMHNZPZXLGK-VPDLZKOJSA-N
XLogP9.71
TPSA425.16 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001623.95
LogP ≤ 59.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-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 209A
CID 121391116
US10730880, Example 209
CID 155883688
US10189845, Example 63
CID 121378295
US10189845, Example 55
CID 121378298
US10189845, Example 58
CID 121378301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 157265395) is 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC(CC)n1cc(-c2nc(-c3cnn(CC(C)(O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(CO)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CO)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)[C@@H](C)O)c3)cn3nccc23)cn1.
What is the InChIKey of 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is AXXXMHNZPZXLGK-VPDLZKOJSA-N. The full InChI is InChI=1S/3C21H27N7O2.C20H25N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29;1-4-17(5-2)27-11-16(9-24-27)21-19-6-7-22-28(19)12-18(25-21)15-8-23-26(10-15)13-20(30)14(3)29;1-3-18(4-2)27-11-17(8-24-27)21-20-5-6-22-28(20)12-19(25-21)16-7-23-26(10-16)9-15(13-29)14-30;1-3-16(4-2)26-10-15(8-23-26)20-19-5-6-21-27(19)12-18(24-20)14-7-22-25(9-14)11-17(29)13-28/h6-12,17,29-30H,4-5,13-14H2,1-3H3;6-12,14,17,20,29-30H,4-5,13H2,1-3H3;5-8,10-12,15,18,29-30H,3-4,9,13-14H2,1-2H3;5-10,12,16-17,28-29H,3-4,11,13H2,1-2H3/t;14-,20-;;/m.1../s1.
What are the key properties of 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 1623.95 g/mol, XLogP of 9.71, 33 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R,3R)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-2,3-diol;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]propane-1,3-diol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 157265395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).