6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium

C26H22N6O2Pd — CID 140690606

IUPAC6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium
SMILESCn1cc(-c2cccc(N(C/N=C/c3coc4ocnc34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.[Pd]
InChIInChI=1S/C26H22N6O2.Pd/c1-30-12-11-20-21(14-31(2)25(20)30)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-33-26-24(18)28-17-34-26;/h3-15,17H,16H2,1-2H3;/b27-13+;
InChIKeyLNCYMIXOIAEIAS-LPUIDCEHSA-N
MW556.92 g/mol
LogP4.73
Rot. Bonds6

About 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium

6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium (PubChem CID 140690606) has the molecular formula C26H22N6O2Pd and a molecular weight of 556.92 g/mol. Its IUPAC name is 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium.

Molecular Properties

Compound Name6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium
PubChem CID140690606
Molecular FormulaC26H22N6O2Pd
Molecular Weight556.92 g/mol
Exact Mass556.08
IUPAC Name6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium
SMILESCn1cc(-c2cccc(N(C/N=C/c3coc4ocnc34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.[Pd]
InChIInChI=1S/C26H22N6O2.Pd/c1-30-12-11-20-21(14-31(2)25(20)30)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-33-26-24(18)28-17-34-26;/h3-15,17H,16H2,1-2H3;/b27-13+;
InChIKeyLNCYMIXOIAEIAS-LPUIDCEHSA-N
XLogP4.73
TPSA76.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.92
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium 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

zinc 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine
CID 156678471
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-phenazin-1-ide;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine;silver
CID 157255988
6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(furo[3,2-d][1,3]oxazol-6-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-[6-(2H-pyrrol-2-id-1-yl)-2-pyridinyl]pyrrolo[2,3-d][1,3]oxazole;palladium;tris(palladium(2+));2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indole
CID 157311126
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methylimidazol-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine;silver
CID 157901825
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
CID 158165032
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;tris(gold(3+));N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
CID 158196730
N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
CID 158916200
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;copper;5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-phenylbenzimidazol-2-yl)-1H-phenazin-1-ide;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
CID 160019337
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
CID 160551467
3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;tris(gold(3+));2-(1-methyl-2H-indol-2-id-3-yl)-4-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyrrolo[2,3-d][1,3]oxazole;2-phenyl-9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide
CID 160995265
N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine;silver
CID 161509923
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
CID 161788792

Frequently Asked Questions

What is the IUPAC name of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium?
The IUPAC name of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium (CID 140690606) is 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium.
What is the SMILES notation for 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium?
The canonical SMILES for 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium is Cn1cc(-c2cccc(N(C/N=C/c3coc4ocnc34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.[Pd].
What is the InChIKey of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium?
The InChIKey is LNCYMIXOIAEIAS-LPUIDCEHSA-N. The full InChI is InChI=1S/C26H22N6O2.Pd/c1-30-12-11-20-21(14-31(2)25(20)30)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-33-26-24(18)28-17-34-26;/h3-15,17H,16H2,1-2H3;/b27-13+;.
What are the key properties of 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium?
6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium has a molecular weight of 556.92 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[[(E)-furo[3,2-d][1,3]oxazol-6-ylmethylideneamino]methyl]-N-phenylpyridin-2-amine;palladium is sourced from PubChem (CID 140690606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).