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

C34H40N5O2Pt-3 — CID 155633526

IUPAC8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum
SMILESCC1=C(C)N(c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)ccc2)[CH-]N1C.[Pt]
InChIInChI=1S/C34H40N5O2.Pt/c1-21(2)31-32(22(3)4)38-19-28(40-27-13-11-12-26(17-27)39-20-37(10)23(5)24(39)6)18-29(33(38)36-31)41-30-16-25(14-15-35-30)34(7,8)9;/h11-16,19-22H,1-10H3;/q-3;
InChIKeyUXLOYKICQBZEHT-UHFFFAOYSA-N
MW745.80 g/mol
LogP8.58
Rot. Bonds7

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

8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum (PubChem CID 155633526) has the molecular formula C34H40N5O2Pt-3 and a molecular weight of 745.80 g/mol. Its IUPAC name is 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum.

Molecular Properties

Compound Name8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum
PubChem CID155633526
Molecular FormulaC34H40N5O2Pt-3
Molecular Weight745.80 g/mol
Exact Mass745.28
IUPAC Name8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum
SMILESCC1=C(C)N(c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)ccc2)[CH-]N1C.[Pt]
InChIInChI=1S/C34H40N5O2.Pt/c1-21(2)31-32(22(3)4)38-19-28(40-27-13-11-12-26(17-27)39-20-37(10)23(5)24(39)6)18-29(33(38)36-31)41-30-16-25(14-15-35-30)34(7,8)9;/h11-16,19-22H,1-10H3;/q-3;
InChIKeyUXLOYKICQBZEHT-UHFFFAOYSA-N
XLogP8.58
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.80
LogP ≤ 58.58
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

Frequently Asked Questions

What is the IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
The IUPAC name of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum (CID 155633526) is 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum.
What is the SMILES notation for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
The canonical SMILES for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum is CC1=C(C)N(c2[c-]c(Oc3[c-]c(Oc4cc(C(C)(C)C)ccn4)c4nc(C(C)C)c(C(C)C)n4c3)ccc2)[CH-]N1C.[Pt].
What is the InChIKey of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
The InChIKey is UXLOYKICQBZEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N5O2.Pt/c1-21(2)31-32(22(3)4)38-19-28(40-27-13-11-12-26(17-27)39-20-37(10)23(5)24(39)6)18-29(33(38)36-31)41-30-16-25(14-15-35-30)34(7,8)9;/h11-16,19-22H,1-10H3;/q-3;.
What are the key properties of 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum?
8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum has a molecular weight of 745.80 g/mol, XLogP of 8.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-7H-imidazo[1,2-a]pyridin-7-ide;platinum is sourced from PubChem (CID 155633526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).