sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C38H44N12NaO4+ — CID 158681512

IUPACsodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCC(=O)NN.CCc1cc(-c2nnc(C)o2)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C(=O)O)ccc1N(C)c1cc2c(cn1)ncn2C.[Na+]
InChIInChI=1S/C19H20N6O.C17H18N4O2.C2H6N2O.Na/c1-5-13-8-14(19-23-22-12(2)26-19)6-7-16(13)25(4)18-9-17-15(10-20-18)21-11-24(17)3;1-4-11-7-12(17(22)23)5-6-14(11)21(3)16-8-15-13(9-18-16)19-10-20(15)2;1-2(5)4-3;/h6-11H,5H2,1-4H3;5-10H,4H2,1-3H3,(H,22,23);3H2,1H3,(H,4,5);/q;;;+1
InChIKeyNKSBERXRCBWUJL-UHFFFAOYSA-N
MW755.84 g/mol
LogP2.65
Rot. Bonds8

About sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158681512) has the molecular formula C38H44N12NaO4+ and a molecular weight of 755.84 g/mol. Its IUPAC name is sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Namesodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID158681512
Molecular FormulaC38H44N12NaO4+
Molecular Weight755.84 g/mol
Exact Mass755.35
IUPAC Namesodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCC(=O)NN.CCc1cc(-c2nnc(C)o2)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C(=O)O)ccc1N(C)c1cc2c(cn1)ncn2C.[Na+]
InChIInChI=1S/C19H20N6O.C17H18N4O2.C2H6N2O.Na/c1-5-13-8-14(19-23-22-12(2)26-19)6-7-16(13)25(4)18-9-17-15(10-20-18)21-11-24(17)3;1-4-11-7-12(17(22)23)5-6-14(11)21(3)16-8-15-13(9-18-16)19-10-20(15)2;1-2(5)4-3;/h6-11H,5H2,1-4H3;5-10H,4H2,1-3H3,(H,22,23);3H2,1H3,(H,4,5);/q;;;+1
InChIKeyNKSBERXRCBWUJL-UHFFFAOYSA-N
XLogP2.65
TPSA199.24 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.84
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
4-[[3-[8-[[6-(2-Methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoic acid
CID 71525522
US11420958, Ex. No. 244
CID 154640079
US11420958, Ex. No. 87
CID 154640143
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
CID 56968987
2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
CID 89790597
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
CID 89797281
2-ethyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;methyl 2-ethyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoate
CID 175887986
3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
CID 10292557
3-[[2-[2-(7-methyl-1H-indazol-5-yl)-1-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]ethyl]imidazol-1-yl]methyl]benzoic acid
CID 11319634
4-[[3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid
CID 44188013

Frequently Asked Questions

What is the IUPAC name of sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 158681512) is sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CC(=O)NN.CCc1cc(-c2nnc(C)o2)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C(=O)O)ccc1N(C)c1cc2c(cn1)ncn2C.[Na+].
What is the InChIKey of sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is NKSBERXRCBWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.C17H18N4O2.C2H6N2O.Na/c1-5-13-8-14(19-23-22-12(2)26-19)6-7-16(13)25(4)18-9-17-15(10-20-18)21-11-24(17)3;1-4-11-7-12(17(22)23)5-6-14(11)21(3)16-8-15-13(9-18-16)19-10-20(15)2;1-2(5)4-3;/h6-11H,5H2,1-4H3;5-10H,4H2,1-3H3,(H,22,23);3H2,1H3,(H,4,5);/q;;;+1.
What are the key properties of sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 755.84 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158681512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).