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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Related Compounds

3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
CID 162644467
4-chloro-2-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 130339258
3-(cyanomethyl)-3-[4-[6-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
CID 130339317
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 155207321
3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-4-yl)-1H-pyrazolo[2,3-a]pyrazin-8-ium-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
CID 155289125
3-[3-amino-4-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
CID 155195742
2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
CID 123763551
2-[1-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-phenylmethoxycyclobutyl]acetonitrile
CID 155195731
3-(cyanomethyl)-3-[13-(1-methylpyrazol-4-yl)-4,5,7,10,11,14-hexazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2,5,8(15),9,12-hexaen-4-yl]azetidine-1-carbonitrile
CID 167134882
2-[2-(cyanomethyl)-6-[4-[6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-6-yl]acetonitrile
CID 175663878
2-[1-(cyanomethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87408447
(2S,4R)-4-(cyanomethyl)-5-[4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]bicyclo[2.1.0]pentane-2-carbonitrile
CID 130359990

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).