carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium

C25H24ClFN6O2SY-2 — CID 153197806

IUPACcarbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium
SMILES[CH2-]N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.[CH3-].[Y]
InChIInChI=1S/C24H21ClFN6O2S.CH3.Y/c1-31-8-10-32(11-9-31)23-15-27-20-7-2-16(12-21(20)29-23)17-13-22(24(25)28-14-17)30-35(33,34)19-5-3-18(26)4-6-19;;/h2-7,12-15,30H,1,8-11H2;1H3;/q2*-1;
InChIKeyCYTCPGAZTUGAQE-UHFFFAOYSA-N
MW615.93 g/mol
LogP4.65
Rot. Bonds5

About carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium

carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium (PubChem CID 153197806) has the molecular formula C25H24ClFN6O2SY-2 and a molecular weight of 615.93 g/mol. Its IUPAC name is carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium.

Molecular Properties

Compound Namecarbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium
PubChem CID153197806
Molecular FormulaC25H24ClFN6O2SY-2
Molecular Weight615.93 g/mol
Exact Mass615.04
IUPAC Namecarbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium
SMILES[CH2-]N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.[CH3-].[Y]
InChIInChI=1S/C24H21ClFN6O2S.CH3.Y/c1-31-8-10-32(11-9-31)23-15-27-20-7-2-16(12-21(20)29-23)17-13-22(24(25)28-14-17)30-35(33,34)19-5-3-18(26)4-6-19;;/h2-7,12-15,30H,1,8-11H2;1H3;/q2*-1;
InChIKeyCYTCPGAZTUGAQE-UHFFFAOYSA-N
XLogP4.65
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.93
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-[3-(cyclohexylmethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608114
N-(2-Chloro-5-(3-(piperazin-1-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44608429
N-[2-chloro-5-[3-(2-methoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608432
N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609388
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
N-[2-chloro-5-[3-[2-methoxyethyl(methyl)amino]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610162
N-[2-chloro-5-[3-(4,4-difluoropiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
CID 44610163
N-[2-chloro-5-(3-piperidin-1-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610316
N-[5-[3-(4-acetylpiperazin-1-yl)quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610317
N-[2-chloro-5-[3-(2-phenylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610483
N-[5-[3-(3-azabicyclo[3.2.2]nonan-3-yl)quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610484

Frequently Asked Questions

What is the IUPAC name of carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium?
The IUPAC name of carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium (CID 153197806) is carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium.
What is the SMILES notation for carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium?
The canonical SMILES for carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium is [CH2-]N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.[CH3-].[Y].
What is the InChIKey of carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium?
The InChIKey is CYTCPGAZTUGAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN6O2S.CH3.Y/c1-31-8-10-32(11-9-31)23-15-27-20-7-2-16(12-21(20)29-23)17-13-22(24(25)28-14-17)30-35(33,34)19-5-3-18(26)4-6-19;;/h2-7,12-15,30H,1,8-11H2;1H3;/q2*-1;.
What are the key properties of carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium?
carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium has a molecular weight of 615.93 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium is sourced from PubChem (CID 153197806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).