N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide

C27H29N7O — CID 67035131

IUPACN-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1
InChIInChI=1S/C27H29N7O/c1-2-3-4-27(35)31-22-8-5-20(6-9-22)21-7-10-23-24(17-21)32-26(19-30-23)34-15-13-33(14-16-34)25-18-28-11-12-29-25/h5-12,17-19H,2-4,13-16H2,1H3,(H,31,35)
InChIKeyRAGKUCMZASXKDF-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.54
Rot. Bonds7

About N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide

N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide (PubChem CID 67035131) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
PubChem CID67035131
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC NameN-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1
InChIInChI=1S/C27H29N7O/c1-2-3-4-27(35)31-22-8-5-20(6-9-22)21-7-10-23-24(17-21)32-26(19-30-23)34-15-13-33(14-16-34)25-18-28-11-12-29-25/h5-12,17-19H,2-4,13-16H2,1H3,(H,31,35)
InChIKeyRAGKUCMZASXKDF-UHFFFAOYSA-N
XLogP4.54
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]oxolane-2-carboxamide
CID 70872149
3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
CID 67035302
2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 67035435
N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
CID 157152050
N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
2-(3-methyl-1,2-oxazol-5-yl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide
CID 67035407
2-[3-(aminomethyl)phenyl]-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 174665506
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-(3-cyanophenyl)-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]acetamide;4-piperidin-1-yl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]butanamide
CID 159130165
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
1-methyl-1-phenyl-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]urea
CID 67034956
N-[4-[3-(3-benzylazetidin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 67035679

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide?
The IUPAC name of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide (CID 67035131) is N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide?
The canonical SMILES for N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1.
What is the InChIKey of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide?
The InChIKey is RAGKUCMZASXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-2-3-4-27(35)31-22-8-5-20(6-9-22)21-7-10-23-24(17-21)32-26(19-30-23)34-15-13-33(14-16-34)25-18-28-11-12-29-25/h5-12,17-19H,2-4,13-16H2,1H3,(H,31,35).
What are the key properties of N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide?
N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide has a molecular weight of 467.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]pentanamide is sourced from PubChem (CID 67035131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).