6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)

C39H41N5OPt — CID 155633351

IUPAC6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)c4nc(C)c(C)n4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O.Pt/c1-24-26(3)43-23-33(22-34(37(43)41-24)35-20-29(16-17-40-35)38(5,6)7)45-32-19-30(39(8,9)10)18-31(21-32)44-27(4)36(25(2)42-44)28-14-12-11-13-15-28;/h11-20,23H,1-10H3;/q-2;+2
InChIKeyDJWSMZLIZUJAEX-UHFFFAOYSA-N
MW790.87 g/mol
LogP9.47
Rot. Bonds5

About 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)

6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (PubChem CID 155633351) has the molecular formula C39H41N5OPt and a molecular weight of 790.87 g/mol. Its IUPAC name is 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+).

Molecular Properties

Compound Name6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
PubChem CID155633351
Molecular FormulaC39H41N5OPt
Molecular Weight790.87 g/mol
Exact Mass790.30
IUPAC Name6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)c4nc(C)c(C)n4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O.Pt/c1-24-26(3)43-23-33(22-34(37(43)41-24)35-20-29(16-17-40-35)38(5,6)7)45-32-19-30(39(8,9)10)18-31(21-32)44-27(4)36(25(2)42-44)28-14-12-11-13-15-28;/h11-20,23H,1-10H3;/q-2;+2
InChIKeyDJWSMZLIZUJAEX-UHFFFAOYSA-N
XLogP9.47
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.87
LogP ≤ 59.47
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

2-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415051
2-[3-tert-butyl-5-[3,5-ditert-butyl-4-(4-tert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415218
2-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415275
2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153415379
2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153415440
2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153416669
2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153417510
2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153417550
2-[3-Methoxy-6-methyl-4-(4-methylimidazol-1-yl)cyclohexa-1,3-dien-1-yl]-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163783983
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 140592560
1-[2,6-Di(propan-2-yl)phenyl]-2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]imidazole;platinum(2+)
CID 140593519
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 140676408

Frequently Asked Questions

What is the IUPAC name of 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The IUPAC name of 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (CID 155633351) is 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+).
What is the SMILES notation for 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The canonical SMILES for 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)c4nc(C)c(C)n4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2].
What is the InChIKey of 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The InChIKey is DJWSMZLIZUJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O.Pt/c1-24-26(3)43-23-33(22-34(37(43)41-24)35-20-29(16-17-40-35)38(5,6)7)45-32-19-30(39(8,9)10)18-31(21-32)44-27(4)36(25(2)42-44)28-14-12-11-13-15-28;/h11-20,23H,1-10H3;/q-2;+2.
What are the key properties of 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) has a molecular weight of 790.87 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-(4-tert-butyl-2-pyridinyl)-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is sourced from PubChem (CID 155633351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).