2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum

C33H40N4O2Pt — CID 154612355

IUPAC2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum
SMILESCC(C)C(C)c1ncc(C(C)(C)c2cnc(C(C)C(C)C)c(-c3ccccc3O)n2)nc1-c1ccccc1O.[Pt]
InChIInChI=1S/C33H40N4O2.Pt/c1-19(2)21(5)29-31(23-13-9-11-15-25(23)38)36-27(17-34-29)33(7,8)28-18-35-30(22(6)20(3)4)32(37-28)24-14-10-12-16-26(24)39;/h9-22,38-39H,1-8H3;
InChIKeyQPEALEPELOETBG-UHFFFAOYSA-N
MW719.79 g/mol
LogP7.85
Rot. Bonds8

About 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum

2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum (PubChem CID 154612355) has the molecular formula C33H40N4O2Pt and a molecular weight of 719.79 g/mol. Its IUPAC name is 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum
PubChem CID154612355
Molecular FormulaC33H40N4O2Pt
Molecular Weight719.79 g/mol
Exact Mass719.28
IUPAC Name2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum
SMILESCC(C)C(C)c1ncc(C(C)(C)c2cnc(C(C)C(C)C)c(-c3ccccc3O)n2)nc1-c1ccccc1O.[Pt]
InChIInChI=1S/C33H40N4O2.Pt/c1-19(2)21(5)29-31(23-13-9-11-15-25(23)38)36-27(17-34-29)33(7,8)28-18-35-30(22(6)20(3)4)32(37-28)24-14-10-12-16-26(24)39;/h9-22,38-39H,1-8H3;
InChIKeyQPEALEPELOETBG-UHFFFAOYSA-N
XLogP7.85
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.79
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
3-[(7R,8R,9aR)-7,8-dimethyl-2-(pyridin-2-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094383
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
2-[6-(3-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091041
2-[6-(2-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091035
2-[6-(2-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091040
2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
2,6-Bis{bis(2-pyridylmethyl)aminomethyl}-4-t-butylphenol
CID 12125964
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
2-[1-[6-[2-[6-[1-(2,4-difluorobenzene-6-id-1-yl)-1-pyridin-2-ylethyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]ethyl]phenol;iridium
CID 58621078
2-[4-(3,5-Ditert-butylphenyl)-6-(2,6-difluoro-5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]phenol
CID 136012905

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum?
The IUPAC name of 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum (CID 154612355) is 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum?
The canonical SMILES for 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum is CC(C)C(C)c1ncc(C(C)(C)c2cnc(C(C)C(C)C)c(-c3ccccc3O)n2)nc1-c1ccccc1O.[Pt].
What is the InChIKey of 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum?
The InChIKey is QPEALEPELOETBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2.Pt/c1-19(2)21(5)29-31(23-13-9-11-15-25(23)38)36-27(17-34-29)33(7,8)28-18-35-30(22(6)20(3)4)32(37-28)24-14-10-12-16-26(24)39;/h9-22,38-39H,1-8H3;.
What are the key properties of 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum?
2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum has a molecular weight of 719.79 g/mol, XLogP of 7.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[6-(2-hydroxyphenyl)-5-(3-methylbutan-2-yl)pyrazin-2-yl]propan-2-yl]-3-(3-methylbutan-2-yl)pyrazin-2-yl]phenol;platinum is sourced from PubChem (CID 154612355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).