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

C21H22N8 — CID 155429472

IUPAC2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESCc1cc2c(-c3cnn(C4(CC#N)CC(C)C4)c3)nc(-c3cnn(C)c3)cn2n1
InChIInChI=1S/C21H22N8/c1-14-7-21(8-14,4-5-22)29-12-17(10-24-29)20-19-6-15(2)26-28(19)13-18(25-20)16-9-23-27(3)11-16/h6,9-14H,4,7-8H2,1-3H3
InChIKeyNDBKBTOISQGIAM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.34
Rot. Bonds4

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

2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (PubChem CID 155429472) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
PubChem CID155429472
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESCc1cc2c(-c3cnn(C4(CC#N)CC(C)C4)c3)nc(-c3cnn(C)c3)cn2n1
InChIInChI=1S/C21H22N8/c1-14-7-21(8-14,4-5-22)29-12-17(10-24-29)20-19-6-15(2)26-28(19)13-18(25-20)16-9-23-27(3)11-16/h6,9-14H,4,7-8H2,1-3H3
InChIKeyNDBKBTOISQGIAM-UHFFFAOYSA-N
XLogP3.34
TPSA89.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (CID 155429472) is 2-[3-methyl-1-[4-[2-methyl-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-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is Cc1cc2c(-c3cnn(C4(CC#N)CC(C)C4)c3)nc(-c3cnn(C)c3)cn2n1.
What is the InChIKey of 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The InChIKey is NDBKBTOISQGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-14-7-21(8-14,4-5-22)29-12-17(10-24-29)20-19-6-15(2)26-28(19)13-18(25-20)16-9-23-27(3)11-16/h6,9-14H,4,7-8H2,1-3H3.
What are the key properties of 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[4-[2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 155429472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).