5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile

C22H22N6 — CID 137374338

IUPAC5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
SMILESCc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC(C)(C)C)c3)cn2n1
InChIInChI=1S/C22H22N6/c1-15-9-19-7-5-16(13-28(19)26-15)21-20(8-6-18(10-23)25-21)17-11-24-27(12-17)14-22(2,3)4/h5-9,11-13H,14H2,1-4H3
InChIKeyJETSDAWFIZUUOD-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.49
Rot. Bonds3

About 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile

5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile (PubChem CID 137374338) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
PubChem CID137374338
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
SMILESCc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC(C)(C)C)c3)cn2n1
InChIInChI=1S/C22H22N6/c1-15-9-19-7-5-16(13-28(19)26-15)21-20(8-6-18(10-23)25-21)17-11-24-27(12-17)14-22(2,3)4/h5-9,11-13H,14H2,1-4H3
InChIKeyJETSDAWFIZUUOD-UHFFFAOYSA-N
XLogP4.49
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137371520
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
6-chloro-5-[1-(2-oxopropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373959
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile (CID 137374338) is 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile is Cc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC(C)(C)C)c3)cn2n1.
What is the InChIKey of 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile?
The InChIKey is JETSDAWFIZUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-15-9-19-7-5-16(13-28(19)26-15)21-20(8-6-18(10-23)25-21)17-11-24-27(12-17)14-22(2,3)4/h5-9,11-13H,14H2,1-4H3.
What are the key properties of 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile?
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137374338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).