2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)

C37H27F3N4O2Pd — CID 153448043

IUPAC2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
SMILESCCc1ccc(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(F)(F)F)ccn4)ccc3)c2OC)cc1.[Pd+2]
InChIInChI=1S/C37H27F3N4O2.Pd/c1-4-24-12-14-25(15-13-24)35-23(2)42-44(36(35)45-3)27-8-7-9-28(21-27)46-29-16-17-31-30-10-5-6-11-32(30)43(33(31)22-29)34-20-26(18-19-41-34)37(38,39)40;/h5-20H,4H2,1-3H3;/q-2;+2
InChIKeyGFZHCHPJPRKYHB-UHFFFAOYSA-N
MW723.06 g/mol
LogP9.32
Rot. Bonds7

About 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)

2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153448043) has the molecular formula C37H27F3N4O2Pd and a molecular weight of 723.06 g/mol. Its IUPAC name is 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

Compound Name2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
PubChem CID153448043
Molecular FormulaC37H27F3N4O2Pd
Molecular Weight723.06 g/mol
Exact Mass722.11
IUPAC Name2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
SMILESCCc1ccc(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(F)(F)F)ccn4)ccc3)c2OC)cc1.[Pd+2]
InChIInChI=1S/C37H27F3N4O2.Pd/c1-4-24-12-14-25(15-13-24)35-23(2)42-44(36(35)45-3)27-8-7-9-28(21-27)46-29-16-17-31-30-10-5-6-11-32(30)43(33(31)22-29)34-20-26(18-19-41-34)37(38,39)40;/h5-20H,4H2,1-3H3;/q-2;+2
InChIKeyGFZHCHPJPRKYHB-UHFFFAOYSA-N
XLogP9.32
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.06
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 122694945
6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
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4-(4,4-Difluoropiperidin-1-yl)-1-[(3-methoxyphenyl)methyl]pyrrolo[3,2-c]quinoline
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US11247990, Example 306
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N,N-dimethyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]quinazolin-5-yl]oxyethanamine
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3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
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3-(6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
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US10918645, Example 66
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)?
The IUPAC name of 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (CID 153448043) is 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+).
What is the SMILES notation for 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)?
The canonical SMILES for 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is CCc1ccc(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(F)(F)F)ccn4)ccc3)c2OC)cc1.[Pd+2].
What is the InChIKey of 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)?
The InChIKey is GFZHCHPJPRKYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27F3N4O2.Pd/c1-4-24-12-14-25(15-13-24)35-23(2)42-44(36(35)45-3)27-8-7-9-28(21-27)46-29-16-17-31-30-10-5-6-11-32(30)43(33(31)22-29)34-20-26(18-19-41-34)37(38,39)40;/h5-20H,4H2,1-3H3;/q-2;+2.
What are the key properties of 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)?
2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 723.06 g/mol, XLogP of 9.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-ethylphenyl)-5-methoxy-3-methylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153448043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).