2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile

C23H22N10 — CID 175663879

IUPAC2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile
SMILESCn1nc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC5(CC(C#N)C5)C4)c3)n2)cc1N
InChIInChI=1S/C23H22N10/c1-31-20(26)6-17(30-31)18-12-32-19(2-5-27-32)21(29-18)16-10-28-33(11-16)23(3-4-24)13-22(14-23)7-15(8-22)9-25/h2,5-6,10-12,15H,3,7-8,13-14,26H2,1H3
InChIKeyZYDJRKCYZWCBLE-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile

2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile (PubChem CID 175663879) has the molecular formula C23H22N10 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile.

Molecular Properties

Compound Name2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile
PubChem CID175663879
Molecular FormulaC23H22N10
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Name2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile
SMILESCn1nc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC5(CC(C#N)C5)C4)c3)n2)cc1N
InChIInChI=1S/C23H22N10/c1-31-20(26)6-17(30-31)18-12-32-19(2-5-27-32)21(29-18)16-10-28-33(11-16)23(3-4-24)13-22(14-23)7-15(8-22)9-25/h2,5-6,10-12,15H,3,7-8,13-14,26H2,1H3
InChIKeyZYDJRKCYZWCBLE-UHFFFAOYSA-N
XLogP2.90
TPSA139.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile?
The IUPAC name of 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile (CID 175663879) is 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile.
What is the SMILES notation for 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile?
The canonical SMILES for 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile is Cn1nc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC5(CC(C#N)C5)C4)c3)n2)cc1N.
What is the InChIKey of 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile?
The InChIKey is ZYDJRKCYZWCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N10/c1-31-20(26)6-17(30-31)18-12-32-19(2-5-27-32)21(29-18)16-10-28-33(11-16)23(3-4-24)13-22(14-23)7-15(8-22)9-25/h2,5-6,10-12,15H,3,7-8,13-14,26H2,1H3.
What are the key properties of 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile?
2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile has a molecular weight of 438.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(5-amino-1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)spiro[3.3]heptane-6-carbonitrile is sourced from PubChem (CID 175663879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).