carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)

C82H113N11O4Y4-4 — CID 157455337

IUPACcarbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.N#CCc1c(-c2ccccc2)nc2ccccn12.NC(=O)Cc1c(-c2ccccc2)nc2ccccn12.O=C(O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/C17H17N3O.C15H13N3O.C15H11N3.C15H12N2O2.8C2H6.4CH3.4Y/c1-19(2)16(21)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-20(14)15;16-13(19)10-12-15(11-6-2-1-3-7-11)17-14-8-4-5-9-18(12)14;16-10-9-13-15(12-6-2-1-3-7-12)17-14-8-4-5-11-18(13)14;18-14(19)10-12-15(11-6-2-1-3-7-11)16-13-8-4-5-9-17(12)13;8*1-2;;;;;;;;/h3-11H,12H2,1-2H3;1-9H,10H2,(H2,16,19);1-8,11H,9H2;1-9H,10H2,(H,18,19);8*1-2H3;4*1H3;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyHBUZLPJGELAMFF-UHFFFAOYSA-N
MW1672.50 g/mol
LogP20.36
Rot. Bonds11

About carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)

carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium) (PubChem CID 157455337) has the molecular formula C82H113N11O4Y4-4 and a molecular weight of 1672.50 g/mol. Its IUPAC name is carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium).

Molecular Properties

Compound Namecarbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)
PubChem CID157455337
Molecular FormulaC82H113N11O4Y4-4
Molecular Weight1672.50 g/mol
Exact Mass1671.52
IUPAC Namecarbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.N#CCc1c(-c2ccccc2)nc2ccccn12.NC(=O)Cc1c(-c2ccccc2)nc2ccccn12.O=C(O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/C17H17N3O.C15H13N3O.C15H11N3.C15H12N2O2.8C2H6.4CH3.4Y/c1-19(2)16(21)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-20(14)15;16-13(19)10-12-15(11-6-2-1-3-7-11)17-14-8-4-5-9-18(12)14;16-10-9-13-15(12-6-2-1-3-7-12)17-14-8-4-5-11-18(13)14;18-14(19)10-12-15(11-6-2-1-3-7-11)16-13-8-4-5-9-17(12)13;8*1-2;;;;;;;;/h3-11H,12H2,1-2H3;1-9H,10H2,(H2,16,19);1-8,11H,9H2;1-9H,10H2,(H,18,19);8*1-2H3;4*1H3;;;;/q;;;;;;;;;;;;4*-1;;;;
InChIKeyHBUZLPJGELAMFF-UHFFFAOYSA-N
XLogP20.36
TPSA193.69 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.50
LogP ≤ 520.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium) with MolForge

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Related Compounds

2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)
CID 158259551
bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)
CID 157292490
3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 157462016
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride
CID 158029574
2-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate
CID 158197539
(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enamide;(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
CID 158219493
sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride
CID 158287162
imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid
CID 158341580
2-deuterio-N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-deuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-deuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide;2-deuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-deuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 158652401
N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 158652402
2,2-dideuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 158652403
2,2-dideuterio-N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-2-(4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide;2,2-dideuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 158652404

Frequently Asked Questions

What is the IUPAC name of carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)?
The IUPAC name of carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium) (CID 157455337) is carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium).
What is the SMILES notation for carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)?
The canonical SMILES for carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.N#CCc1c(-c2ccccc2)nc2ccccn12.NC(=O)Cc1c(-c2ccccc2)nc2ccccn12.O=C(O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)?
The InChIKey is HBUZLPJGELAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.C15H13N3O.C15H11N3.C15H12N2O2.8C2H6.4CH3.4Y/c1-19(2)16(21)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-20(14)15;16-13(19)10-12-15(11-6-2-1-3-7-11)17-14-8-4-5-9-18(12)14;16-10-9-13-15(12-6-2-1-3-7-12)17-14-8-4-5-11-18(13)14;18-14(19)10-12-15(11-6-2-1-3-7-11)16-13-8-4-5-9-17(12)13;8*1-2;;;;;;;;/h3-11H,12H2,1-2H3;1-9H,10H2,(H2,16,19);1-8,11H,9H2;1-9H,10H2,(H,18,19);8*1-2H3;4*1H3;;;;/q;;;;;;;;;;;;4*-1;;;;.
What are the key properties of carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)?
carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium) has a molecular weight of 1672.50 g/mol, XLogP of 20.36, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium) is sourced from PubChem (CID 157455337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).