[5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine

C15H17BrF2N4 — CID 178041094

IUPAC[5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine
SMILESCc1cc(Br)c2cc(N3CCC(F)(F)CC3)nc(NN)c2c1
InChIInChI=1S/C15H17BrF2N4/c1-9-6-11-10(12(16)7-9)8-13(20-14(11)21-19)22-4-2-15(17,18)3-5-22/h6-8H,2-5,19H2,1H3,(H,20,21)
InChIKeyXSRCDCCZUYWTPF-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.83
Rot. Bonds2

About [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine

[5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine (PubChem CID 178041094) has the molecular formula C15H17BrF2N4 and a molecular weight of 371.23 g/mol. Its IUPAC name is [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine
PubChem CID178041094
Molecular FormulaC15H17BrF2N4
Molecular Weight371.23 g/mol
Exact Mass370.06
IUPAC Name[5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine
SMILESCc1cc(Br)c2cc(N3CCC(F)(F)CC3)nc(NN)c2c1
InChIInChI=1S/C15H17BrF2N4/c1-9-6-11-10(12(16)7-9)8-13(20-14(11)21-19)22-4-2-15(17,18)3-5-22/h6-8H,2-5,19H2,1H3,(H,20,21)
InChIKeyXSRCDCCZUYWTPF-UHFFFAOYSA-N
XLogP3.83
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine 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

5-bromo-1-chloro-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinoline
CID 178041124
2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
CID 171542202
8-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methyl-3H-quinazolin-4-one
CID 169155348
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594
1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
CID 117007800
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146525770
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
CID 131093374
3-(4,4-difluoropiperidin-1-yl)-N,5-dimethylaniline
CID 167273261
3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
CID 91796183
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956
methyl 5-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine-4-carboxylate
CID 175640260
9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 169155290

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine?
The IUPAC name of [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine (CID 178041094) is [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine.
What is the SMILES notation for [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine?
The canonical SMILES for [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine is Cc1cc(Br)c2cc(N3CCC(F)(F)CC3)nc(NN)c2c1.
What is the InChIKey of [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine?
The InChIKey is XSRCDCCZUYWTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2N4/c1-9-6-11-10(12(16)7-9)8-13(20-14(11)21-19)22-4-2-15(17,18)3-5-22/h6-8H,2-5,19H2,1H3,(H,20,21).
What are the key properties of [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine?
[5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine has a molecular weight of 371.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinolin-1-yl]hydrazine is sourced from PubChem (CID 178041094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).