CID 155750220

C24H27ClKN5OS — CID 155750220

IUPAC—
SMILESCC(C)CSc1ncc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C)[CH-]3)c2)cc1Cl.[K+]
InChIInChI=1S/C24H27ClN5OS.K/c1-16(2)15-32-24-22(25)11-19(12-28-24)23(31)29-20-7-5-6-18(10-20)17(3)26-8-9-27-21-13-30(4)14-21;/h5-7,9-14,16-17,26H,15H2,1-4H3,(H,29,31);/q-1;+1
InChIKeyHNJIXBMSXIRKOG-UHFFFAOYSA-N
MW508.13 g/mol
LogP1.99
Rot. Bonds9

About CID 155750220

CID 155750220 (PubChem CID 155750220) has the molecular formula C24H27ClKN5OS and a molecular weight of 508.13 g/mol.

Molecular Properties

Compound NameCID 155750220
PubChem CID155750220
Molecular FormulaC24H27ClKN5OS
Molecular Weight508.13 g/mol
Exact Mass507.13
IUPAC Name—
SMILESCC(C)CSc1ncc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C)[CH-]3)c2)cc1Cl.[K+]
InChIInChI=1S/C24H27ClN5OS.K/c1-16(2)15-32-24-22(25)11-19(12-28-24)23(31)29-20-7-5-6-18(10-20)17(3)26-8-9-27-21-13-30(4)14-21;/h5-7,9-14,16-17,26H,15H2,1-4H3,(H,29,31);/q-1;+1
InChIKeyHNJIXBMSXIRKOG-UHFFFAOYSA-N
XLogP1.99
TPSA69.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.13
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide
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potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
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5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
potassium 5-methyl-N-[3-[1-[2-[(4-pyrimidin-5-yl-3H-pyrrol-3-id-2-yl)amino]ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
CID 155750218
potassium N-[4-fluoro-3-[1-[2-[(3-methylcyclopent-2-en-1-ylidene)amino]ethenylamino]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155750661
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165

Frequently Asked Questions

What is the IUPAC name of CID 155750220?
The IUPAC name of CID 155750220 (CID 155750220) is not available.
What is the SMILES notation for CID 155750220?
The canonical SMILES for CID 155750220 is CC(C)CSc1ncc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3/C=[N+](C)[CH-]3)c2)cc1Cl.[K+].
What is the InChIKey of CID 155750220?
The InChIKey is HNJIXBMSXIRKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN5OS.K/c1-16(2)15-32-24-22(25)11-19(12-28-24)23(31)29-20-7-5-6-18(10-20)17(3)26-8-9-27-21-13-30(4)14-21;/h5-7,9-14,16-17,26H,15H2,1-4H3,(H,29,31);/q-1;+1.
What are the key properties of CID 155750220?
CID 155750220 has a molecular weight of 508.13 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155750220 is sourced from PubChem (CID 155750220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).