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

C39H41N5O2Pt — CID 155633588

IUPAC7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)n4c(C)c(C)nc4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O2.Pt/c1-24-26(3)43-34(41-24)22-33(23-36(43)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)37(25(2)42-44)28-14-12-11-13-15-28;/h11-20,22H,1-10H3;/q-2;+2
InChIKeyDCUMGZMDCKCGCO-UHFFFAOYSA-N
MW806.87 g/mol
LogP9.59
Rot. Bonds6

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

7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (PubChem CID 155633588) has the molecular formula C39H41N5O2Pt and a molecular weight of 806.87 g/mol. Its IUPAC name is 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
PubChem CID155633588
Molecular FormulaC39H41N5O2Pt
Molecular Weight806.87 g/mol
Exact Mass806.29
IUPAC Name7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)n4c(C)c(C)nc4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
InChIInChI=1S/C39H41N5O2.Pt/c1-24-26(3)43-34(41-24)22-33(23-36(43)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)37(25(2)42-44)28-14-12-11-13-15-28;/h11-20,22H,1-10H3;/q-2;+2
InChIKeyDCUMGZMDCKCGCO-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

2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 102313335
US9018217, 2-{2-[4-(2-Methoxy-phenyl)-1-methyl-1H,imidazol-2-yl]-ethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66636335
(imidazo[1,2-a]pyridin-3-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190922
1-[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 16192383
2-(4-Methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710903
4-[[2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710928
6-(1-Benzylpyrazol-4-yl)-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 155562430
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 164610710
3-Imidazo[1,2-a]pyridin-3-yl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 60182396
2,3-Bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 118710892
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 42511621
8-(4-Methoxyphenyl)-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridine
CID 134806682

Frequently Asked Questions

What is the IUPAC name of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The IUPAC name of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (CID 155633588) is 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).
What is the SMILES notation for 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The canonical SMILES for 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)n4c(C)c(C)nc4c3)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2].
What is the InChIKey of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The InChIKey is DCUMGZMDCKCGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2.Pt/c1-24-26(3)43-34(41-24)22-33(23-36(43)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)37(25(2)42-44)28-14-12-11-13-15-28;/h11-20,22H,1-10H3;/q-2;+2.
What are the key properties of 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-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 7-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-5-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is sourced from PubChem (CID 155633588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).