N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine

C28H27FN6 — CID 142696215

IUPACN-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine
SMILESFc1ccc2c(C3CCN(CCNc4nc5ccccc5nc4-c4ccccc4)CC3)[nH]nc2c1
InChIInChI=1S/C28H27FN6/c29-21-10-11-22-25(18-21)33-34-26(22)20-12-15-35(16-13-20)17-14-30-28-27(19-6-2-1-3-7-19)31-23-8-4-5-9-24(23)32-28/h1-11,18,20H,12-17H2,(H,30,32)(H,33,34)
InChIKeyNIYDFQGNUBFUSN-UHFFFAOYSA-N
MW466.56 g/mol
LogP5.60
Rot. Bonds6

About N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine

N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine (PubChem CID 142696215) has the molecular formula C28H27FN6 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine
PubChem CID142696215
Molecular FormulaC28H27FN6
Molecular Weight466.56 g/mol
Exact Mass466.23
IUPAC NameN-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine
SMILESFc1ccc2c(C3CCN(CCNc4nc5ccccc5nc4-c4ccccc4)CC3)[nH]nc2c1
InChIInChI=1S/C28H27FN6/c29-21-10-11-22-25(18-21)33-34-26(22)20-12-15-35(16-13-20)17-14-30-28-27(19-6-2-1-3-7-19)31-23-8-4-5-9-24(23)32-28/h1-11,18,20H,12-17H2,(H,30,32)(H,33,34)
InChIKeyNIYDFQGNUBFUSN-UHFFFAOYSA-N
XLogP5.60
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

but-2-enedioic acid;4-fluoro-1-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]benzene-1,2-dicarboxamide
CID 67746711
2-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-4-hydroxyisoindole-1,3-dione;hydrochloride
CID 142696227
1-[4-[3-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]propoxymethoxy]phenyl]ethanone
CID 54432299
5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole
CID 141134428
7-fluoro-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]quinazolin-4-amine
CID 97118171
cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone
CID 73437758
N-[[(1R,2R)-2-[[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3-(2-methylphenyl)prop-2-enamide
CID 123483050
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
7-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine
CID 25204115
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820994
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine?
The IUPAC name of N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine (CID 142696215) is N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine.
What is the SMILES notation for N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine?
The canonical SMILES for N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine is Fc1ccc2c(C3CCN(CCNc4nc5ccccc5nc4-c4ccccc4)CC3)[nH]nc2c1.
What is the InChIKey of N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine?
The InChIKey is NIYDFQGNUBFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6/c29-21-10-11-22-25(18-21)33-34-26(22)20-12-15-35(16-13-20)17-14-30-28-27(19-6-2-1-3-7-19)31-23-8-4-5-9-24(23)32-28/h1-11,18,20H,12-17H2,(H,30,32)(H,33,34).
What are the key properties of N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine?
N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine has a molecular weight of 466.56 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-3-phenylquinoxalin-2-amine is sourced from PubChem (CID 142696215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).