osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone

C36H28F6N8O4Os — CID 139131627

IUPACosmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
SMILESCC(C)=O.CC(C)=O.O=C(c1cc(C(F)(F)F)[n-]n1)c1cccc(-c2ccccn2)n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Os+2]
InChIInChI=1S/2C15H9F3N4O.2C3H6O.Os/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;2*1-3(2)4;/h2*1-8H,(H,21,22,23);2*1-2H3;/q;;;;+2/p-2
InChIKeyQFDAXOUVNKOBOM-UHFFFAOYSA-L
MW940.89 g/mol
LogP6.68
Rot. Bonds6

About osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone

osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone (PubChem CID 139131627) has the molecular formula C36H28F6N8O4Os and a molecular weight of 940.89 g/mol. Its IUPAC name is osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone.

Molecular Properties

Compound Nameosmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
PubChem CID139131627
Molecular FormulaC36H28F6N8O4Os
Molecular Weight940.89 g/mol
Exact Mass942.18
IUPAC Nameosmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
SMILESCC(C)=O.CC(C)=O.O=C(c1cc(C(F)(F)F)[n-]n1)c1cccc(-c2ccccn2)n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Os+2]
InChIInChI=1S/2C15H9F3N4O.2C3H6O.Os/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;2*1-3(2)4;/h2*1-8H,(H,21,22,23);2*1-2H3;/q;;;;+2/p-2
InChIKeyQFDAXOUVNKOBOM-UHFFFAOYSA-L
XLogP6.68
TPSA173.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.89
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))
CID 139131625
Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
CID 139131626
CID 157303773
CID 157303773
CID 158354204
CID 158354204
1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;methane;1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 158526829
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one
CID 160098733
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one
CID 160098734
Bis[6-(3,5-difluoro-2-pyridinyl)-2-pyridinyl]methanone;platinum
CID 140680267

Frequently Asked Questions

What is the IUPAC name of osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone?
The IUPAC name of osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone (CID 139131627) is osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone.
What is the SMILES notation for osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone?
The canonical SMILES for osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone is CC(C)=O.CC(C)=O.O=C(c1cc(C(F)(F)F)[n-]n1)c1cccc(-c2ccccn2)n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Os+2].
What is the InChIKey of osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone?
The InChIKey is QFDAXOUVNKOBOM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H9F3N4O.2C3H6O.Os/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;2*1-3(2)4;/h2*1-8H,(H,21,22,23);2*1-2H3;/q;;;;+2/p-2.
What are the key properties of osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone?
osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone has a molecular weight of 940.89 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone is sourced from PubChem (CID 139131627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).