2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile

C79H80N38O5 — CID 165081742

IUPAC2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cc(CO)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cc(CO)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)c(N)n2)C1.Cc1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)n[nH]1
InChIInChI=1S/C20H18N10.2C20H21N9O2.C19H20N10O/c1-12-6-15(27-26-12)16-11-29-17(2-5-24-29)18(25-16)14-10-30(28-19(14)23)20(3-4-21)7-13(8-20)9-22;2*1-31-13-7-20(8-13,3-4-21)29-9-14(19(22)27-29)18-17-2-5-23-28(17)10-16(24-18)15-6-12(11-30)25-26-15;1-30-11-7-19(8-11,3-4-20)29-9-12(18(22)27-29)17-15-2-5-23-28(15)10-14(24-17)13-6-16(21)26-25-13/h2,5-6,10-11,13H,3,7-8H2,1H3,(H2,23,28)(H,26,27);2*2,5-6,9-10,13,30H,3,7-8,11H2,1H3,(H2,22,27)(H,25,26);2,5-6,9-11H,3,7-8H2,1H3,(H2,22,27)(H3,21,25,26)
InChIKeyVFWFTLWSGLXLMT-UHFFFAOYSA-N
MW1641.77 g/mol
LogP6.93
Rot. Bonds21

About 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile

2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (PubChem CID 165081742) has the molecular formula C79H80N38O5 and a molecular weight of 1641.77 g/mol. Its IUPAC name is 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
PubChem CID165081742
Molecular FormulaC79H80N38O5
Molecular Weight1641.77 g/mol
Exact Mass1640.72
IUPAC Name2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cc(CO)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cc(CO)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)c(N)n2)C1.Cc1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)n[nH]1
InChIInChI=1S/C20H18N10.2C20H21N9O2.C19H20N10O/c1-12-6-15(27-26-12)16-11-29-17(2-5-24-29)18(25-16)14-10-30(28-19(14)23)20(3-4-21)7-13(8-20)9-22;2*1-31-13-7-20(8-13,3-4-21)29-9-14(19(22)27-29)18-17-2-5-23-28(17)10-16(24-18)15-6-12(11-30)25-26-15;1-30-11-7-19(8-11,3-4-20)29-9-12(18(22)27-29)17-15-2-5-23-28(15)10-14(24-17)13-6-16(21)26-25-13/h2,5-6,10-11,13H,3,7-8H2,1H3,(H2,23,28)(H,26,27);2*2,5-6,9-10,13,30H,3,7-8,11H2,1H3,(H2,22,27)(H,25,26);2,5-6,9-11H,3,7-8H2,1H3,(H2,22,27)(H3,21,25,26)
InChIKeyVFWFTLWSGLXLMT-UHFFFAOYSA-N
XLogP6.93
TPSA623.96 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001641.77
LogP ≤ 56.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (CID 165081742) is 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is COC1CC(CC#N)(n2cc(-c3nc(-c4cc(CO)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cc(CO)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n[nH]4)cn4nccc34)c(N)n2)C1.Cc1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)n[nH]1.
What is the InChIKey of 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The InChIKey is VFWFTLWSGLXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N10.2C20H21N9O2.C19H20N10O/c1-12-6-15(27-26-12)16-11-29-17(2-5-24-29)18(25-16)14-10-30(28-19(14)23)20(3-4-21)7-13(8-20)9-22;2*1-31-13-7-20(8-13,3-4-21)29-9-14(19(22)27-29)18-17-2-5-23-28(17)10-16(24-18)15-6-12(11-30)25-26-15;1-30-11-7-19(8-11,3-4-20)29-9-12(18(22)27-29)17-15-2-5-23-28(15)10-14(24-17)13-6-16(21)26-25-13/h2,5-6,10-11,13H,3,7-8H2,1H3,(H2,23,28)(H,26,27);2*2,5-6,9-10,13,30H,3,7-8,11H2,1H3,(H2,22,27)(H,25,26);2,5-6,9-11H,3,7-8H2,1H3,(H2,22,27)(H3,21,25,26).
What are the key properties of 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile has a molecular weight of 1641.77 g/mol, XLogP of 6.93, 21 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-amino-4-[6-(3-amino-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;bis(2-[1-[3-amino-4-[6-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile);3-[3-amino-4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 165081742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).