2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile

C19H20N8 — CID 46901712

IUPAC2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESCn1ccc(Nc2cc(-c3cc(C#N)cc(N4CCNCC4)n3)ccn2)n1
InChIInChI=1S/C19H20N8/c1-26-7-3-17(25-26)24-18-12-15(2-4-22-18)16-10-14(13-20)11-19(23-16)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H,22,24,25)
InChIKeyZVKJUDYDWABBFR-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.90
Rot. Bonds4

About 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile

2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile (PubChem CID 46901712) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile
PubChem CID46901712
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESCn1ccc(Nc2cc(-c3cc(C#N)cc(N4CCNCC4)n3)ccn2)n1
InChIInChI=1S/C19H20N8/c1-26-7-3-17(25-26)24-18-12-15(2-4-22-18)16-10-14(13-20)11-19(23-16)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H,22,24,25)
InChIKeyZVKJUDYDWABBFR-UHFFFAOYSA-N
XLogP1.90
TPSA94.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile (CID 46901712) is 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile is Cn1ccc(Nc2cc(-c3cc(C#N)cc(N4CCNCC4)n3)ccn2)n1.
What is the InChIKey of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
The InChIKey is ZVKJUDYDWABBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-26-7-3-17(25-26)24-18-12-15(2-4-22-18)16-10-14(13-20)11-19(23-16)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H,22,24,25).
What are the key properties of 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile has a molecular weight of 360.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile is sourced from PubChem (CID 46901712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).