N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane

C30H42F2N6O2 — CID 169110865

IUPACN-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane
SMILESCC.CCc1nc2ccc(C(C)N3CCN(c4ccc(C(=O)NC5CCC5)nc4C)CC3)c(F)c2[nH]c1=O.CF
InChIInChI=1S/C27H33FN6O2.C2H6.CH3F/c1-4-20-26(35)32-25-21(31-20)9-8-19(24(25)28)17(3)33-12-14-34(15-13-33)23-11-10-22(29-16(23)2)27(36)30-18-6-5-7-18;2*1-2/h8-11,17-18H,4-7,12-15H2,1-3H3,(H,30,36)(H,32,35);1-2H3;1H3
InChIKeyGGHWPDDPYJCRIM-UHFFFAOYSA-N
MW556.70 g/mol
LogP5.11
Rot. Bonds6

About N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane

N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane (PubChem CID 169110865) has the molecular formula C30H42F2N6O2 and a molecular weight of 556.70 g/mol. Its IUPAC name is N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane.

Molecular Properties

Compound NameN-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane
PubChem CID169110865
Molecular FormulaC30H42F2N6O2
Molecular Weight556.70 g/mol
Exact Mass556.33
IUPAC NameN-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane
SMILESCC.CCc1nc2ccc(C(C)N3CCN(c4ccc(C(=O)NC5CCC5)nc4C)CC3)c(F)c2[nH]c1=O.CF
InChIInChI=1S/C27H33FN6O2.C2H6.CH3F/c1-4-20-26(35)32-25-21(31-20)9-8-19(24(25)28)17(3)33-12-14-34(15-13-33)23-11-10-22(29-16(23)2)27(36)30-18-6-5-7-18;2*1-2/h8-11,17-18H,4-7,12-15H2,1-3H3,(H,30,36)(H,32,35);1-2H3;1H3
InChIKeyGGHWPDDPYJCRIM-UHFFFAOYSA-N
XLogP5.11
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane with MolForge

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Related Compounds

5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110755
6-cyano-N-(2,2-difluorocyclopropyl)-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110802
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
N-cyclopropyl-6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110746
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
5-[4-[(5-chloro-2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 162524449
6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524515
5-[4-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110461
5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131767
tert-butyl 4-[6-(cyclopropylcarbamoyl)-2-methyl-3-pyridinyl]piperazine-1-carboxylate
CID 168957204
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
CID 162524420
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 175473204

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane?
The IUPAC name of N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane (CID 169110865) is N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane.
What is the SMILES notation for N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane?
The canonical SMILES for N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane is CC.CCc1nc2ccc(C(C)N3CCN(c4ccc(C(=O)NC5CCC5)nc4C)CC3)c(F)c2[nH]c1=O.CF.
What is the InChIKey of N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane?
The InChIKey is GGHWPDDPYJCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2.C2H6.CH3F/c1-4-20-26(35)32-25-21(31-20)9-8-19(24(25)28)17(3)33-12-14-34(15-13-33)23-11-10-22(29-16(23)2)27(36)30-18-6-5-7-18;2*1-2/h8-11,17-18H,4-7,12-15H2,1-3H3,(H,30,36)(H,32,35);1-2H3;1H3.
What are the key properties of N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane?
N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane has a molecular weight of 556.70 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide;ethane;fluoromethane is sourced from PubChem (CID 169110865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).