potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide

C22H20KN6OS- — CID 155750073

IUPACpotassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide
SMILESCC(N/[C-]=C/N=c1/cnn(C)[cH-]1)c1cccc(NC(=O)c2cnc3ccsc3c2)c1.[K+]
InChIInChI=1S/C22H20N6OS.K/c1-15(23-7-8-24-19-13-26-28(2)14-19)16-4-3-5-18(10-16)27-22(29)17-11-21-20(25-12-17)6-9-30-21;/h3-6,8-15,23H,1-2H3,(H,27,29);/q-2;+1/b24-19-;
InChIKeyRSUJDRVZLJUWPV-BMGIYVBOSA-N
MW455.61 g/mol
LogP0.53
Rot. Bonds6

About potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide

potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 155750073) has the molecular formula C22H20KN6OS- and a molecular weight of 455.61 g/mol. Its IUPAC name is potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Namepotassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide
PubChem CID155750073
Molecular FormulaC22H20KN6OS-
Molecular Weight455.61 g/mol
Exact Mass455.11
IUPAC Namepotassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide
SMILESCC(N/[C-]=C/N=c1/cnn(C)[cH-]1)c1cccc(NC(=O)c2cnc3ccsc3c2)c1.[K+]
InChIInChI=1S/C22H20N6OS.K/c1-15(23-7-8-24-19-13-26-28(2)14-19)16-4-3-5-18(10-16)27-22(29)17-11-21-20(25-12-17)6-9-30-21;/h3-6,8-15,23H,1-2H3,(H,27,29);/q-2;+1/b24-19-;
InChIKeyRSUJDRVZLJUWPV-BMGIYVBOSA-N
XLogP0.53
TPSA84.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 155750151
CID 155750151
5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155451356
CID 155750122
CID 155750122
potassium N-[4-fluoro-3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 155750657
CID 155750143
CID 155750143
potassium 5-cyclopropyl-N-[3-[1-[2-(1,5-dihydropyrazol-5-id-4-ylideneamino)ethenylamino]ethyl]phenyl]pyridine-3-carboxamide
CID 155749814
CID 155750220
CID 155750220
CID 155750104
CID 155750104
5-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 175850132
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
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
3-(1-thieno[3,2-b]pyridin-6-ylethylamino)phenol
CID 64830345

Frequently Asked Questions

What is the IUPAC name of potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide (CID 155750073) is potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide is CC(N/[C-]=C/N=c1/cnn(C)[cH-]1)c1cccc(NC(=O)c2cnc3ccsc3c2)c1.[K+].
What is the InChIKey of potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is RSUJDRVZLJUWPV-BMGIYVBOSA-N. The full InChI is InChI=1S/C22H20N6OS.K/c1-15(23-7-8-24-19-13-26-28(2)14-19)16-4-3-5-18(10-16)27-22(29)17-11-21-20(25-12-17)6-9-30-21;/h3-6,8-15,23H,1-2H3,(H,27,29);/q-2;+1/b24-19-;.
What are the key properties of potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide?
potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[3-[1-[2-[(2-methyl-3H-pyrazol-3-id-4-ylidene)amino]ethenylamino]ethyl]phenyl]thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 155750073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).