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

C39H41N5O2Pt — CID 155633536

IUPAC6-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C)c(C)n4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O2.Pt/c1-24-26(3)43-23-33(22-34(37(43)41-24)46-35-20-29(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
InChIKeySIUXLHMGEDGCLL-UHFFFAOYSA-N
MW806.87 g/mol
LogP9.59
Rot. Bonds6

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)oxy]-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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (PubChem CID 155633536) has the molecular formula C39H41N5O2Pt and a molecular weight of 806.87 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)oxy]-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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
PubChem CID155633536
Molecular FormulaC39H41N5O2Pt
Molecular Weight806.87 g/mol
Exact Mass806.29
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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C)c(C)n4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O2.Pt/c1-24-26(3)43-23-33(22-34(37(43)41-24)46-35-20-29(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
InChIKeySIUXLHMGEDGCLL-UHFFFAOYSA-N
XLogP9.59
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.87
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 34
CID 118278242
US10399985, Example 38
CID 118288258
US10399985, Example 44
CID 118288272
3-[5-(4-Methoxyphenyl)-1-methylpyrazol-4-yl]-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
CID 137660031
(imidazo[1,2-a]pyridin-3-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190922
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710901
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710928
8-(2-Methoxy-4-pyridinyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one
CID 134810463

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)oxy]-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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (CID 155633536) 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)oxy]-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)oxy]-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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?
The InChIKey is SIUXLHMGEDGCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2.Pt/c1-24-26(3)43-23-33(22-34(37(43)41-24)46-35-20-29(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)oxy]-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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) has a molecular weight of 806.87 g/mol, XLogP of 9.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is sourced from PubChem (CID 155633536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).