bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)

C71H111BrN9O3Y3-3 — CID 157292490

IUPACbromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)
SMILESCBr.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/3C17H17N3O.8C2H6.CH3Br.3CH3.3Y/c3*1-19(2)16(21)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-20(14)15;9*1-2;;;;;;/h3*3-11H,12H2,1-2H3;8*1-2H3;1H3;3*1H3;;;/q;;;;;;;;;;;;3*-1;;;
InChIKeyVKQCZSHFAUJEJI-UHFFFAOYSA-N
MW1485.35 g/mol
LogP18.46
Rot. Bonds9

About bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)

bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium) (PubChem CID 157292490) has the molecular formula C71H111BrN9O3Y3-3 and a molecular weight of 1485.35 g/mol. Its IUPAC name is bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium).

Molecular Properties

Compound Namebromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)
PubChem CID157292490
Molecular FormulaC71H111BrN9O3Y3-3
Molecular Weight1485.35 g/mol
Exact Mass1483.52
IUPAC Namebromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)
SMILESCBr.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/3C17H17N3O.8C2H6.CH3Br.3CH3.3Y/c3*1-19(2)16(21)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-20(14)15;9*1-2;;;;;;/h3*3-11H,12H2,1-2H3;8*1-2H3;1H3;3*1H3;;;/q;;;;;;;;;;;;3*-1;;;
InChIKeyVKQCZSHFAUJEJI-UHFFFAOYSA-N
XLogP18.46
TPSA112.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001485.35
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10361367
2-(6-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10498000
2-(2-Phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10520807
N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10598186
N,N-diethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10852261
1'-[(1-Methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173747
2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344922
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924
2-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10784005
[4-[2-[3-(2-Methylimidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone
CID 54580081
1-(3-Diphenylphosphinothioyl-2-methylimidazo[1,2-a]pyridin-4-ium-1-yl)-2-phenylethanone bromide
CID 72735979
N-benzyl-N-ethyl-2-(4-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-acetamide
CID 56591624

Frequently Asked Questions

What is the IUPAC name of bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)?
The IUPAC name of bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium) (CID 157292490) is bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium).
What is the SMILES notation for bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)?
The canonical SMILES for bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium) is CBr.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)?
The InChIKey is VKQCZSHFAUJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H17N3O.8C2H6.CH3Br.3CH3.3Y/c3*1-19(2)16(21)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-20(14)15;9*1-2;;;;;;/h3*3-11H,12H2,1-2H3;8*1-2H3;1H3;3*1H3;;;/q;;;;;;;;;;;;3*-1;;;.
What are the key properties of bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium)?
bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium) has a molecular weight of 1485.35 g/mol, XLogP of 18.46, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;carbanide;tris(N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide);ethane;tris(yttrium) is sourced from PubChem (CID 157292490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).