4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile

C19H20N8 — CID 163346338

IUPAC4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1cc(C)n(-c2cc(N3CCN(c4ccnc(C#N)c4)CC3)ncn2)n1
InChIInChI=1S/C19H20N8/c1-14-9-15(2)27(24-14)19-11-18(22-13-23-19)26-7-5-25(6-8-26)17-3-4-21-16(10-17)12-20/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyRSPBZLIUFSPZKU-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.87
Rot. Bonds3

About 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile

4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 163346338) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID163346338
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1cc(C)n(-c2cc(N3CCN(c4ccnc(C#N)c4)CC3)ncn2)n1
InChIInChI=1S/C19H20N8/c1-14-9-15(2)27(24-14)19-11-18(22-13-23-19)26-7-5-25(6-8-26)17-3-4-21-16(10-17)12-20/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyRSPBZLIUFSPZKU-UHFFFAOYSA-N
XLogP1.87
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345910
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345651
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163345548
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345546
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171327083
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile (CID 163346338) is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile is Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C#N)c4)CC3)ncn2)n1.
What is the InChIKey of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RSPBZLIUFSPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-14-9-15(2)27(24-14)19-11-18(22-13-23-19)26-7-5-25(6-8-26)17-3-4-21-16(10-17)12-20/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 360.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163346338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).