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

C81H80N40O4 — CID 164960134

IUPAC3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cc(C(N)=O)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cn(C)nc4CO)cn4nccc34)c(N)n2)C1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)nn1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C)(C#N)C4)nc3N)n2)cn1
InChIInChI=1S/C21H20N10.C21H23N9O2.C20H20N10O2.C19H17N11/c1-20(13-23)11-21(12-20,4-5-22)31-9-15(19(24)28-31)18-17-3-6-25-30(17)10-16(27-18)14-7-26-29(2)8-14;1-28-9-14(17(12-31)26-28)16-11-29-18(3-6-24-29)19(25-16)15-10-30(27-20(15)23)21(4-5-22)7-13(8-21)32-2;1-32-11-7-20(8-11,3-4-21)30-9-12(18(22)28-30)17-16-2-5-24-29(16)10-15(25-17)13-6-14(19(23)31)27-26-13;1-28-10-15(25-27-28)14-11-29-16(2-5-23-29)17(24-14)13-9-30(26-18(13)22)19(3-4-20)6-12(7-19)8-21/h3,6-10H,4,11-12H2,1-2H3,(H2,24,28);3,6,9-11,13,31H,4,7-8,12H2,1-2H3,(H2,23,27);2,5-6,9-11H,3,7-8H2,1H3,(H2,22,28)(H2,23,31)(H,26,27);2,5,9-12H,3,6-7H2,1H3,(H2,22,26)
InChIKeyBSLVLVAYIKOEHT-UHFFFAOYSA-N
MW1677.81 g/mol
LogP6.59
Rot. Bonds20

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

3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (PubChem CID 164960134) has the molecular formula C81H80N40O4 and a molecular weight of 1677.81 g/mol. Its IUPAC name is 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
PubChem CID164960134
Molecular FormulaC81H80N40O4
Molecular Weight1677.81 g/mol
Exact Mass1676.73
IUPAC Name3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cc(C(N)=O)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cn(C)nc4CO)cn4nccc34)c(N)n2)C1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)nn1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C)(C#N)C4)nc3N)n2)cn1
InChIInChI=1S/C21H20N10.C21H23N9O2.C20H20N10O2.C19H17N11/c1-20(13-23)11-21(12-20,4-5-22)31-9-15(19(24)28-31)18-17-3-6-25-30(17)10-16(27-18)14-7-26-29(2)8-14;1-28-9-14(17(12-31)26-28)16-11-29-18(3-6-24-29)19(25-16)15-10-30(27-20(15)23)21(4-5-22)7-13(8-21)32-2;1-32-11-7-20(8-11,3-4-21)30-9-12(18(22)28-30)17-16-2-5-24-29(16)10-15(25-17)13-6-14(19(23)31)27-26-13;1-28-10-15(25-27-28)14-11-29-16(2-5-23-29)17(24-14)13-9-30(26-18(13)22)19(3-4-20)6-12(7-19)8-21/h3,6-10H,4,11-12H2,1-2H3,(H2,24,28);3,6,9-11,13,31H,4,7-8,12H2,1-2H3,(H2,23,27);2,5-6,9-11H,3,7-8H2,1H3,(H2,22,28)(H2,23,31)(H,26,27);2,5,9-12H,3,6-7H2,1H3,(H2,22,26)
InChIKeyBSLVLVAYIKOEHT-UHFFFAOYSA-N
XLogP6.59
TPSA615.67 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.81
LogP ≤ 56.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-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 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (CID 164960134) is 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is COC1CC(CC#N)(n2cc(-c3nc(-c4cc(C(N)=O)[nH]n4)cn4nccc34)c(N)n2)C1.COC1CC(CC#N)(n2cc(-c3nc(-c4cn(C)nc4CO)cn4nccc34)c(N)n2)C1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)nn1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C)(C#N)C4)nc3N)n2)cn1.
What is the InChIKey of 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
The InChIKey is BSLVLVAYIKOEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10.C21H23N9O2.C20H20N10O2.C19H17N11/c1-20(13-23)11-21(12-20,4-5-22)31-9-15(19(24)28-31)18-17-3-6-25-30(17)10-16(27-18)14-7-26-29(2)8-14;1-28-9-14(17(12-31)26-28)16-11-29-18(3-6-24-29)19(25-16)15-10-30(27-20(15)23)21(4-5-22)7-13(8-21)32-2;1-32-11-7-20(8-11,3-4-21)30-9-12(18(22)28-30)17-16-2-5-24-29(16)10-15(25-17)13-6-14(19(23)31)27-26-13;1-28-10-15(25-27-28)14-11-29-16(2-5-23-29)17(24-14)13-9-30(26-18(13)22)19(3-4-20)6-12(7-19)8-21/h3,6-10H,4,11-12H2,1-2H3,(H2,24,28);3,6,9-11,13,31H,4,7-8,12H2,1-2H3,(H2,23,27);2,5-6,9-11H,3,7-8H2,1H3,(H2,22,28)(H2,23,31)(H,26,27);2,5,9-12H,3,6-7H2,1H3,(H2,22,26).
What are the key properties of 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?
3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile has a molecular weight of 1677.81 g/mol, XLogP of 6.59, 20 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-amino-1-[1-(cyanomethyl)-3-methoxycyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-1H-pyrazole-5-carboxamide;2-[1-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)-1-methylcyclobutane-1-carbonitrile;3-[3-amino-4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 164960134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).