6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine

C18H18N8 — CID 145270165

IUPAC6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2cnn(-c3cncc4ccccc34)c2)c1N
InChIInChI=1S/C18H18N8/c19-16-6-13(17(20)18(24-16)25-21)5-11-7-23-26(10-11)15-9-22-8-12-3-1-2-4-14(12)15/h1-4,6-10H,5,20-21H2,(H3,19,24,25)
InChIKeyWPONEIDVLWQMGB-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.86
Rot. Bonds4

About 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine

6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 145270165) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
PubChem CID145270165
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2cnn(-c3cncc4ccccc34)c2)c1N
InChIInChI=1S/C18H18N8/c19-16-6-13(17(20)18(24-16)25-21)5-11-7-23-26(10-11)15-9-22-8-12-3-1-2-4-14(12)15/h1-4,6-10H,5,20-21H2,(H3,19,24,25)
InChIKeyWPONEIDVLWQMGB-UHFFFAOYSA-N
XLogP1.86
TPSA133.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-hydrazinyl-4-[[1-(2-methoxy-4-pyridinyl)pyrazol-4-yl]methyl]pyridine-2,5-diamine
CID 126675496
6-hydrazinyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2,5-diamine
CID 145270329
4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
4-[[1-[[3-(2-benzylpiperazin-1-yl)phenyl]methyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine
CID 126676750
1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole
CID 175276620
4-[(4-chlorobenzotriazol-2-yl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 126676487
4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
CID 138645350
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271515
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
3-isoquinolin-4-ylaniline
CID 22724137
4-indol-1-ylisoquinoline
CID 68997324
7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649812

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine (CID 145270165) is 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine is NNc1nc(N)cc(Cc2cnn(-c3cncc4ccccc34)c2)c1N.
What is the InChIKey of 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is WPONEIDVLWQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c19-16-6-13(17(20)18(24-16)25-21)5-11-7-23-26(10-11)15-9-22-8-12-3-1-2-4-14(12)15/h1-4,6-10H,5,20-21H2,(H3,19,24,25).
What are the key properties of 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 346.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-[(1-isoquinolin-4-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 145270165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).