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

C82H81N41O2 — CID 164960831

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

3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (PubChem CID 164960831) has the molecular formula C82H81N41O2 and a molecular weight of 1672.83 g/mol. Its IUPAC name is 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
• PubChem CID: 164960831
• Molecular Formula: C82H81N41O2
• Molecular Weight: 1672.83 g/mol
• Exact Mass: 1671.75
• IUPAC Name: 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
• SMILES: COC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n(C)n4)cn4nccc34)c(N)n2)C1.Cc1cnn2cc(-c3cnn(C)c3)nc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c12.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)c(CO)n1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)c(N)n1
• InChI: InChI=1S/C21H20N10O.C21H20N10.C20H19N11.C20H22N10O/c1-29-9-14(17(12-32)27-29)16-11-30-18(2-5-25-30)19(26-16)15-10-31(28-20(15)24)21(3-4-22)6-13(7-21)8-23;1-13-8-26-30-12-17(15-9-25-29(2)10-15)27-18(19(13)30)16-11-31(28-20(16)24)21(3-4-22)5-14(6-21)7-23;1-29-9-13(18(23)27-29)15-11-30-16(2-5-25-30)17(26-15)14-10-31(28-19(14)24)20(3-4-21)6-12(7-20)8-22;1-28-17(22)7-14(26-28)15-11-29-16(3-6-24-29)18(25-15)13-10-30(27-19(13)23)20(4-5-21)8-12(9-20)31-2/h2,5,9-11,13,32H,3,6-7,12H2,1H3,(H2,24,28);8-12,14H,3,5-6H2,1-2H3,(H2,24,28);2,5,9-12H,3,6-7H2,1H3,(H2,23,27)(H2,24,28);3,6-7,10-12H,4,8-9,22H2,1-2H3,(H2,23,27)
• InChIKey: BUVXSSKMVHAUJZ-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 615.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1672.83
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

The IUPAC name of 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (CID 164960831) is 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

What is the SMILES notation for 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

The canonical SMILES for 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is COC1CC(CC#N)(n2cc(-c3nc(-c4cc(N)n(C)n4)cn4nccc34)c(N)n2)C1.Cc1cnn2cc(-c3cnn(C)c3)nc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c12.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)c(CO)n1.Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)c(N)n1.

What is the InChIKey of 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

The InChIKey is BUVXSSKMVHAUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10O.C21H20N10.C20H19N11.C20H22N10O/c1-29-9-14(17(12-32)27-29)16-11-30-18(2-5-25-30)19(26-16)15-10-31(28-20(15)24)21(3-4-22)6-13(7-21)8-23;1-13-8-26-30-12-17(15-9-25-29(2)10-15)27-18(19(13)30)16-11-31(28-20(16)24)21(3-4-22)5-14(6-21)7-23;1-29-9-13(18(23)27-29)15-11-30-16(2-5-25-30)17(26-15)14-10-31(28-19(14)24)20(3-4-21)6-12(7-20)8-22;1-28-17(22)7-14(26-28)15-11-29-16(3-6-24-29)18(25-15)13-10-30(27-19(13)23)20(4-5-21)8-12(9-20)31-2/h2,5,9-11,13,32H,3,6-7,12H2,1H3,(H2,24,28);8-12,14H,3,5-6H2,1-2H3,(H2,24,28);2,5,9-12H,3,6-7H2,1H3,(H2,23,27)(H2,24,28);3,6-7,10-12H,4,8-9,22H2,1-2H3,(H2,23,27).

What are the key properties of 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile has a molecular weight of 1672.83 g/mol, XLogP of 7.31, 18 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-amino-4-[6-(3-amino-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;2-[1-[3-amino-4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile;3-[3-amino-4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile;3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 164960831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).