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

C17H23N7 — CID 86797981

IUPAC4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(c3c(N)c(C)nn3C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H23N7/c1-11-9-15(14(10-18)12(2)20-11)23-5-7-24(8-6-23)17-16(19)13(3)21-22(17)4/h9H,5-8,19H2,1-4H3
InChIKeyDFECEARKEVMBMY-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.52
Rot. Bonds2

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

4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 86797981) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID86797981
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(c3c(N)c(C)nn3C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H23N7/c1-11-9-15(14(10-18)12(2)20-11)23-5-7-24(8-6-23)17-16(19)13(3)21-22(17)4/h9H,5-8,19H2,1-4H3
InChIKeyDFECEARKEVMBMY-UHFFFAOYSA-N
XLogP1.52
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 86797981) is 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCN(c3c(N)c(C)nn3C)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DFECEARKEVMBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-11-9-15(14(10-18)12(2)20-11)23-5-7-24(8-6-23)17-16(19)13(3)21-22(17)4/h9H,5-8,19H2,1-4H3.
What are the key properties of 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 86797981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).