2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile

C22H20N10 — CID 130339330

IUPAC2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(c5ccn[nH]5)C4)c3)n2)cn1
InChIInChI=1S/C22H20N10/c1-30-12-16(10-26-30)19-14-31-20(3-7-25-31)21(28-19)17-11-27-32(13-17)22(4-5-23)8-15(9-22)18-2-6-24-29-18/h2-3,6-7,10-15H,4,8-9H2,1H3,(H,24,29)
InChIKeyDVOYZGKQNUPXBI-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.90
Rot. Bonds5

About 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile

2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile (PubChem CID 130339330) has the molecular formula C22H20N10 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile
PubChem CID130339330
Molecular FormulaC22H20N10
Molecular Weight424.47 g/mol
Exact Mass424.19
IUPAC Name2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(c5ccn[nH]5)C4)c3)n2)cn1
InChIInChI=1S/C22H20N10/c1-30-12-16(10-26-30)19-14-31-20(3-7-25-31)21(28-19)17-11-27-32(13-17)22(4-5-23)8-15(9-22)18-2-6-24-29-18/h2-3,6-7,10-15H,4,8-9H2,1H3,(H,24,29)
InChIKeyDVOYZGKQNUPXBI-UHFFFAOYSA-N
XLogP2.90
TPSA118.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile 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-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile (CID 130339330) is 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile is Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(c5ccn[nH]5)C4)c3)n2)cn1.
What is the InChIKey of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile?
The InChIKey is DVOYZGKQNUPXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N10/c1-30-12-16(10-26-30)19-14-31-20(3-7-25-31)21(28-19)17-11-27-32(13-17)22(4-5-23)8-15(9-22)18-2-6-24-29-18/h2-3,6-7,10-15H,4,8-9H2,1H3,(H,24,29).
What are the key properties of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile?
2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile has a molecular weight of 424.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(1H-pyrazol-5-yl)cyclobutyl]acetonitrile is sourced from PubChem (CID 130339330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).