N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide

C28H32FN5O2 — CID 142575544

IUPACN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide
SMILESCN1CCN(C(=O)C2CCC(CC(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)CC2)CC1
InChIInChI=1S/C28H32FN5O2/c1-33-8-10-34(11-9-33)28(36)20-4-2-19(3-5-20)12-27(35)32-26-15-23-13-21(6-7-22(23)17-31-26)24-14-25(29)18-30-16-24/h6-7,13-20H,2-5,8-12H2,1H3,(H,31,32,35)
InChIKeyLIEJRBTWACHDOY-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.34
Rot. Bonds5

About N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide

N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide (PubChem CID 142575544) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide
PubChem CID142575544
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide
SMILESCN1CCN(C(=O)C2CCC(CC(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)CC2)CC1
InChIInChI=1S/C28H32FN5O2/c1-33-8-10-34(11-9-33)28(36)20-4-2-19(3-5-20)12-27(35)32-26-15-23-13-21(6-7-22(23)17-31-26)24-14-25(29)18-30-16-24/h6-7,13-20H,2-5,8-12H2,1H3,(H,31,32,35)
InChIKeyLIEJRBTWACHDOY-UHFFFAOYSA-N
XLogP4.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide with MolForge

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Related Compounds

2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955
N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 138586260
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 138559127
4-fluoro-N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 138586265
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxamide
CID 166702429
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
6-(5-fluoro-3-pyridinyl)-N-[1-[2-(1-propan-2-ylpiperidin-4-yl)-3H-pyrrol-5-yl]ethenyl]isoquinolin-3-amine
CID 142575310
1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 143569882
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide (CID 142575544) is N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide is CN1CCN(C(=O)C2CCC(CC(=O)Nc3cc4cc(-c5cncc(F)c5)ccc4cn3)CC2)CC1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide?
The InChIKey is LIEJRBTWACHDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-33-8-10-34(11-9-33)28(36)20-4-2-19(3-5-20)12-27(35)32-26-15-23-13-21(6-7-22(23)17-31-26)24-14-25(29)18-30-16-24/h6-7,13-20H,2-5,8-12H2,1H3,(H,31,32,35).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide?
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 142575544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).