copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate

C19H22Cl2CuN6O8 — CID 139127349

IUPACcopper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate
SMILESCC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(CCc2c[nH]cn2)Cc2ccccn2)nc1
InChIInChI=1S/C17H19N5.C2H3N.2ClHO4.Cu/c1-3-8-19-16(5-1)12-22(10-7-15-11-18-14-21-15)13-17-6-2-4-9-20-17;1-2-3;2*2-1(3,4)5;/h1-6,8-9,11,14H,7,10,12-13H2,(H,18,21);1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyGHTWXKXTLQOJBN-UHFFFAOYSA-L
MW596.87 g/mol
LogP-6.54
Rot. Bonds7

About copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate

copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate (PubChem CID 139127349) has the molecular formula C19H22Cl2CuN6O8 and a molecular weight of 596.87 g/mol. Its IUPAC name is copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate.

Molecular Properties

Compound Namecopper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate
PubChem CID139127349
Molecular FormulaC19H22Cl2CuN6O8
Molecular Weight596.87 g/mol
Exact Mass595.02
IUPAC Namecopper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate
SMILESCC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(CCc2c[nH]cn2)Cc2ccccn2)nc1
InChIInChI=1S/C17H19N5.C2H3N.2ClHO4.Cu/c1-3-8-19-16(5-1)12-22(10-7-15-11-18-14-21-15)13-17-6-2-4-9-20-17;1-2-3;2*2-1(3,4)5;/h1-6,8-9,11,14H,7,10,12-13H2,(H,18,21);1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyGHTWXKXTLQOJBN-UHFFFAOYSA-L
XLogP-6.54
TPSA265.97 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.87
LogP ≤ 5-6.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 44449190
bis(acetonitrile);N-(1H-imidazol-4-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;iron(3+);bis(trifluoromethanesulfonate)
CID 168343660
(4S)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95196712
(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95867865
(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine
CID 169164891
6-[(4S)-4-[(Z)-1-amino-2-(3-fluoro-2-pyridinyl)ethenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridin-2-amine
CID 176928229
(Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine
CID 176928282
2,6-Dipyridin-2-ylpyridine;1-methylimidazole;platinum
CID 499511
75 2-(4-(2-(6-Methylpyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)pyridin-2-yl)-4,5,6,7-tetrahydro-3H-imidazolo[4,5-c]pyridine
CID 176356769
[Pt(tpy)(MeIm)](ClO4)2.CH3CN
CID 139055029
copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide
CID 139067251
Bis[(imidazol-4-ylmethyl)(2-pyridylmethyl)amine-kappa^3^N,N',N'']nickel(II) dichloride dihydrate
CID 139069737

Frequently Asked Questions

What is the IUPAC name of copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate?
The IUPAC name of copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate (CID 139127349) is copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate.
What is the SMILES notation for copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate?
The canonical SMILES for copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate is CC#N.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(CCc2c[nH]cn2)Cc2ccccn2)nc1.
What is the InChIKey of copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate?
The InChIKey is GHTWXKXTLQOJBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H19N5.C2H3N.2ClHO4.Cu/c1-3-8-19-16(5-1)12-22(10-7-15-11-18-14-21-15)13-17-6-2-4-9-20-17;1-2-3;2*2-1(3,4)5;/h1-6,8-9,11,14H,7,10,12-13H2,(H,18,21);1H3;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate?
copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate has a molecular weight of 596.87 g/mol, XLogP of -6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetonitrile;2-(1H-imidazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine;diperchlorate is sourced from PubChem (CID 139127349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).