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

C20H20N8O — CID 130339280

IUPAC2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1
InChIInChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3
InChIKeyVYWKECFAYKXBQW-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.41
Rot. Bonds5

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

2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (PubChem CID 130339280) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
PubChem CID130339280
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1
InChIInChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3
InChIKeyVYWKECFAYKXBQW-UHFFFAOYSA-N
XLogP2.41
TPSA98.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (CID 130339280) is 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is COC1CC(CC#N)(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1.
What is the InChIKey of 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The InChIKey is VYWKECFAYKXBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3.
What are the key properties of 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile has a molecular weight of 388.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 130339280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).