2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile

C57H60N32O5 — CID 165020447

IUPAC2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile
SMILESCON1CC(CC#N)(n2cc(-c3nc(-c4cc(C(N)=O)[nH]n4)cn4nccc34)c(N)n2)C1.CON1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)c(N)n2)C1.CON1CC(CC#N)(n2cc(-c3nc(-c4cn(C)nc4CO)cn4nccc34)c(N)n2)C1
InChIInChI=1S/C20H22N10O2.C19H19N11O2.C18H19N11O/c1-27-7-13(16(10-31)25-27)15-9-29-17(3-6-23-29)18(24-15)14-8-30(26-19(14)22)20(4-5-21)11-28(12-20)32-2;1-32-28-9-19(10-28,3-4-20)30-7-11(17(21)27-30)16-15-2-5-23-29(15)8-14(24-16)12-6-13(18(22)31)26-25-12;1-30-27-9-18(10-27,3-4-19)29-7-11(17(21)26-29)16-14-2-5-22-28(14)8-13(23-16)12-6-15(20)25-24-12/h3,6-9,31H,4,10-12H2,1-2H3,(H2,22,26);2,5-8H,3,9-10H2,1H3,(H2,21,27)(H2,22,31)(H,25,26);2,5-8H,3,9-10H2,1H3,(H2,21,26)(H3,20,24,25)
InChIKeyLBSSBYDMHXMXGF-UHFFFAOYSA-N
MW1273.33 g/mol
LogP1.34
Rot. Bonds17

About 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile

2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile (PubChem CID 165020447) has the molecular formula C57H60N32O5 and a molecular weight of 1273.33 g/mol. Its IUPAC name is 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile
PubChem CID165020447
Molecular FormulaC57H60N32O5
Molecular Weight1273.33 g/mol
Exact Mass1272.54
IUPAC Name2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile
SMILESCON1CC(CC#N)(n2cc(-c3nc(-c4cc(C(N)=O)[nH]n4)cn4nccc34)c(N)n2)C1.CON1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)c(N)n2)C1.CON1CC(CC#N)(n2cc(-c3nc(-c4cn(C)nc4CO)cn4nccc34)c(N)n2)C1
InChIInChI=1S/C20H22N10O2.C19H19N11O2.C18H19N11O/c1-27-7-13(16(10-31)25-27)15-9-29-17(3-6-23-29)18(24-15)14-8-30(26-19(14)22)20(4-5-21)11-28(12-20)32-2;1-32-28-9-19(10-28,3-4-20)30-7-11(17(21)27-30)16-15-2-5-23-29(15)8-14(24-16)12-6-13(18(22)31)26-25-12;1-30-27-9-18(10-27,3-4-19)29-7-11(17(21)26-29)16-14-2-5-22-28(14)8-13(23-16)12-6-15(20)25-24-12/h3,6-9,31H,4,10-12H2,1-2H3,(H2,22,26);2,5-8H,3,9-10H2,1H3,(H2,21,27)(H2,22,31)(H,25,26);2,5-8H,3,9-10H2,1H3,(H2,21,26)(H3,20,24,25)
InChIKeyLBSSBYDMHXMXGF-UHFFFAOYSA-N
XLogP1.34
TPSA495.39 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.33
LogP ≤ 51.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile (CID 165020447) is 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile is CON1CC(CC#N)(n2cc(-c3nc(-c4cc(C(N)=O)[nH]n4)cn4nccc34)c(N)n2)C1.CON1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)c(N)n2)C1.CON1CC(CC#N)(n2cc(-c3nc(-c4cn(C)nc4CO)cn4nccc34)c(N)n2)C1.
What is the InChIKey of 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile?
The InChIKey is LBSSBYDMHXMXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10O2.C19H19N11O2.C18H19N11O/c1-27-7-13(16(10-31)25-27)15-9-29-17(3-6-23-29)18(24-15)14-8-30(26-19(14)22)20(4-5-21)11-28(12-20)32-2;1-32-28-9-19(10-28,3-4-20)30-7-11(17(21)27-30)16-15-2-5-23-29(15)8-14(24-16)12-6-13(18(22)31)26-25-12;1-30-27-9-18(10-27,3-4-19)29-7-11(17(21)26-29)16-14-2-5-22-28(14)8-13(23-16)12-6-15(20)25-24-12/h3,6-9,31H,4,10-12H2,1-2H3,(H2,22,26);2,5-8H,3,9-10H2,1H3,(H2,21,27)(H2,22,31)(H,25,26);2,5-8H,3,9-10H2,1H3,(H2,21,26)(H3,20,24,25).
What are the key properties of 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile?
2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile has a molecular weight of 1273.33 g/mol, XLogP of 1.34, 17 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile;3-[4-[3-amino-1-[3-(cyanomethyl)-1-methoxyazetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-methoxyazetidin-3-yl]acetonitrile is sourced from PubChem (CID 165020447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).