6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide

C24H29FN8O2 — CID 178131856

IUPAC6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NN5CCCC5)nn4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C24H29FN8O2/c1-2-17-23(34)27-22-18(26-17)6-5-16(21(22)25)15-31-11-13-32(14-12-31)20-8-7-19(28-29-20)24(35)30-33-9-3-4-10-33/h5-8H,2-4,9-15H2,1H3,(H,27,34)(H,30,35)
InChIKeyPPEKBZFTZKWIDE-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.48
Rot. Bonds6

About 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide

6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 178131856) has the molecular formula C24H29FN8O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID178131856
Molecular FormulaC24H29FN8O2
Molecular Weight480.55 g/mol
Exact Mass480.24
IUPAC Name6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCCc1nc2ccc(CN3CCN(c4ccc(C(=O)NN5CCCC5)nn4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C24H29FN8O2/c1-2-17-23(34)27-22-18(26-17)6-5-16(21(22)25)15-31-11-13-32(14-12-31)20-8-7-19(28-29-20)24(35)30-33-9-3-4-10-33/h5-8H,2-4,9-15H2,1H3,(H,27,34)(H,30,35)
InChIKeyPPEKBZFTZKWIDE-UHFFFAOYSA-N
XLogP1.48
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 178131889
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
6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524515
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
sodium 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-5-fluoropyridine-3-carboxylate
CID 178131795
5-[4-[(5-chloro-2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 162524449
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131753
6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 178131995
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide
CID 170781580
6-chloro-N-(3,3-difluoroazetidin-1-yl)-5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 178131756

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 178131856) is 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide is CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NN5CCCC5)nn4)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is PPEKBZFTZKWIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O2/c1-2-17-23(34)27-22-18(26-17)6-5-16(21(22)25)15-31-11-13-32(14-12-31)20-8-7-19(28-29-20)24(35)30-33-9-3-4-10-33/h5-8H,2-4,9-15H2,1H3,(H,27,34)(H,30,35).
What are the key properties of 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide?
6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 178131856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).