azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)

C76H70ClN23O9Y2-2 — CID 158959054

IUPACazanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)
SMILESCC.CC.CC.CC.Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.O=[N+]([O-])c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1.O=c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)[nH]1.[NH-]c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.[NH2-].[Y].[Y]
InChIInChI=1S/C17H10ClN5O2.C17H12N6O2.C17H11N6O2.C17H11N5O3.4C2H6.H2N.2Y/c3*18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25;23-17-18-8-7-13(19-17)16-15(20-14-6-1-2-9-21(14)16)11-4-3-5-12(10-11)22(24)25;4*1-2;;;/h1-10H;1-10H,(H2,18,19,20);1-10H,(H-,18,19,20);1-10H,(H,18,19,23);4*1-2H3;1H2;;/q;;-1;;;;;;-1;;
InChIKeyLUZJJVCKPBXVIF-UHFFFAOYSA-N
MW1662.81 g/mol
LogP18.50
Rot. Bonds12

About azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)

azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) (PubChem CID 158959054) has the molecular formula C76H70ClN23O9Y2-2 and a molecular weight of 1662.81 g/mol. Its IUPAC name is azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium).

Molecular Properties

Compound Nameazanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)
PubChem CID158959054
Molecular FormulaC76H70ClN23O9Y2-2
Molecular Weight1662.81 g/mol
Exact Mass1661.35
IUPAC Nameazanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)
SMILESCC.CC.CC.CC.Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.O=[N+]([O-])c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1.O=c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)[nH]1.[NH-]c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.[NH2-].[Y].[Y]
InChIInChI=1S/C17H10ClN5O2.C17H12N6O2.C17H11N6O2.C17H11N5O3.4C2H6.H2N.2Y/c3*18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25;23-17-18-8-7-13(19-17)16-15(20-14-6-1-2-9-21(14)16)11-4-3-5-12(10-11)22(24)25;4*1-2;;;/h1-10H;1-10H,(H2,18,19,20);1-10H,(H-,18,19,20);1-10H,(H,18,19,23);4*1-2H3;1H2;;/q;;-1;;;;;;-1;;
InChIKeyLUZJJVCKPBXVIF-UHFFFAOYSA-N
XLogP18.50
TPSA448.17 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.81
LogP ≤ 518.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) with MolForge

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Related Compounds

4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methylpiperazin-1-yl)pyridin-3-amine;prop-2-enoyl chloride;hydrochloride
CID 157223356
2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-[difluoro-(3-nitrophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;6-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)pyridin-3-amine;hydrochloride
CID 158619797
3-(6-chloro-4-nitro-2-pyridinyl)-6-fluoro-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-4-nitropyridine;6-fluoro-2,3-dimethylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;4-methylaniline
CID 158781042
2-aminoethanol;2-[[2-(6-fluoro-2-methyl-7H-imidazo[1,2-a]pyridin-7-ylium-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]hydroxylamine
CID 158892143
1-[3-[7-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5-difluorohexan-2-one;2-[3-[7-[4-(1,1-difluoroethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-(2,2,2-trifluoroethyl)acetamide;2-[3-[7-[6-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-N-(2,2,2-trifluoroethyl)acetamide;methane;1-[3-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 160442185
4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
CID 161236288
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;zinc;hydrochloride
CID 161933650
4-[(3-aminophenyl)-difluoromethyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-[difluoro-(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[3-[difluoro-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;4-[difluoro-(3-nitrophenyl)methyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;prop-2-enoyl chloride
CID 162121185
Co(TpivPP)(NO~2~)(1,2-Me~2~Im)
CID 139134182
dioxidanium;tetrakis(9-benzyl-N-methoxypurin-6-amine);cadmium(2+);methanol;dinitrate
CID 168354168
1-[3-[3-[2-[3-[2-[3-(Dimethylamino)pyrrolidin-1-yl]ethyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3-phenylurea
CID 67161386
1-[3-[3-[2-[3-[[4-(Dimethylamino)piperidin-1-yl]methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3-phenylurea
CID 67161395

Frequently Asked Questions

What is the IUPAC name of azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
The IUPAC name of azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) (CID 158959054) is azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium).
What is the SMILES notation for azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
The canonical SMILES for azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) is CC.CC.CC.CC.Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.O=[N+]([O-])c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1.O=c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)[nH]1.[NH-]c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.[NH2-].[Y].[Y].
What is the InChIKey of azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
The InChIKey is LUZJJVCKPBXVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5O2.C17H12N6O2.C17H11N6O2.C17H11N5O3.4C2H6.H2N.2Y/c3*18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25;23-17-18-8-7-13(19-17)16-15(20-14-6-1-2-9-21(14)16)11-4-3-5-12(10-11)22(24)25;4*1-2;;;/h1-10H;1-10H,(H2,18,19,20);1-10H,(H-,18,19,20);1-10H,(H,18,19,23);4*1-2H3;1H2;;/q;;-1;;;;;;-1;;.
What are the key properties of azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) has a molecular weight of 1662.81 g/mol, XLogP of 18.50, 12 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) is sourced from PubChem (CID 158959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).