tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate

C63H45ClGa4N16O6S+8 — CID 157424876

IUPACtetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate
SMILESCS(=O)(=O)Nc1cccc2c([O-])n3nc(-c4ccccc4)cc3nc12.Cc1cc2nc(-c3ccccn3)c(C)c([O-])n2n1.Cc1nn2c([O-])c3ccccc3nc2c1-c1ccccn1.[Ga+3].[Ga+3].[Ga+3].[Ga+3].[O-]c1cc(-c2ccccn2)nc2c(Cl)c(-c3ccccc3)nn12
InChIInChI=1S/C17H11ClN4O.C17H14N4O3S.C16H12N4O.C13H12N4O.4Ga/c18-15-16(11-6-2-1-3-7-11)21-22-14(23)10-13(20-17(15)22)12-8-4-5-9-19-12;1-25(23,24)20-13-9-5-8-12-16(13)18-15-10-14(19-21(15)17(12)22)11-6-3-2-4-7-11;1-10-14(13-8-4-5-9-17-13)15-18-12-7-3-2-6-11(12)16(21)20(15)19-10;1-8-7-11-15-12(10-5-3-4-6-14-10)9(2)13(18)17(11)16-8;;;;/h1-10,23H;2-10,20,22H,1H3;2-9,21H,1H3;3-7,18H,1-2H3;;;;/q;;;;4*+3/p-4
InChIKeyXHNMMKXEHXVUKI-UHFFFAOYSA-J
MW1468.57 g/mol
LogP7.46
Rot. Bonds7

About tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate

tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate (PubChem CID 157424876) has the molecular formula C63H45ClGa4N16O6S+8 and a molecular weight of 1468.57 g/mol. Its IUPAC name is tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate.

Molecular Properties

Compound Nametetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate
PubChem CID157424876
Molecular FormulaC63H45ClGa4N16O6S+8
Molecular Weight1468.57 g/mol
Exact Mass1464.01
IUPAC Nametetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate
SMILESCS(=O)(=O)Nc1cccc2c([O-])n3nc(-c4ccccc4)cc3nc12.Cc1cc2nc(-c3ccccn3)c(C)c([O-])n2n1.Cc1nn2c([O-])c3ccccc3nc2c1-c1ccccn1.[Ga+3].[Ga+3].[Ga+3].[Ga+3].[O-]c1cc(-c2ccccn2)nc2c(Cl)c(-c3ccccc3)nn12
InChIInChI=1S/C17H11ClN4O.C17H14N4O3S.C16H12N4O.C13H12N4O.4Ga/c18-15-16(11-6-2-1-3-7-11)21-22-14(23)10-13(20-17(15)22)12-8-4-5-9-19-12;1-25(23,24)20-13-9-5-8-12-16(13)18-15-10-14(19-21(15)17(12)22)11-6-3-2-4-7-11;1-10-14(13-8-4-5-9-17-13)15-18-12-7-3-2-6-11(12)16(21)20(15)19-10;1-8-7-11-15-12(10-5-3-4-6-14-10)9(2)13(18)17(11)16-8;;;;/h1-10,23H;2-10,20,22H,1H3;2-9,21H,1H3;3-7,18H,1-2H3;;;;/q;;;;4*+3/p-4
InChIKeyXHNMMKXEHXVUKI-UHFFFAOYSA-J
XLogP7.46
TPSA297.84 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.57
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate with MolForge

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Related Compounds

Pentaaluminum;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2-(3-methylphenyl)-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2-(4-methylphenyl)-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate;5-pyridin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate
CID 162052091
4-[4-[9-(2-aminoethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;N-[2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]ethyl]methanesulfonamide
CID 165050498

Frequently Asked Questions

What is the IUPAC name of tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate?
The IUPAC name of tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate (CID 157424876) is tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate.
What is the SMILES notation for tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate?
The canonical SMILES for tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate is CS(=O)(=O)Nc1cccc2c([O-])n3nc(-c4ccccc4)cc3nc12.Cc1cc2nc(-c3ccccn3)c(C)c([O-])n2n1.Cc1nn2c([O-])c3ccccc3nc2c1-c1ccccn1.[Ga+3].[Ga+3].[Ga+3].[Ga+3].[O-]c1cc(-c2ccccn2)nc2c(Cl)c(-c3ccccc3)nn12.
What is the InChIKey of tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate?
The InChIKey is XHNMMKXEHXVUKI-UHFFFAOYSA-J. The full InChI is InChI=1S/C17H11ClN4O.C17H14N4O3S.C16H12N4O.C13H12N4O.4Ga/c18-15-16(11-6-2-1-3-7-11)21-22-14(23)10-13(20-17(15)22)12-8-4-5-9-19-12;1-25(23,24)20-13-9-5-8-12-16(13)18-15-10-14(19-21(15)17(12)22)11-6-3-2-4-7-11;1-10-14(13-8-4-5-9-17-13)15-18-12-7-3-2-6-11(12)16(21)20(15)19-10;1-8-7-11-15-12(10-5-3-4-6-14-10)9(2)13(18)17(11)16-8;;;;/h1-10,23H;2-10,20,22H,1H3;2-9,21H,1H3;3-7,18H,1-2H3;;;;/q;;;;4*+3/p-4.
What are the key properties of tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate?
tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate has a molecular weight of 1468.57 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tetragallium;3-chloro-2-phenyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;2,6-dimethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-olate;5-(methanesulfonamido)-2-phenylpyrazolo[5,1-b]quinazolin-9-olate;2-methyl-3-pyridin-2-ylpyrazolo[5,1-b]quinazolin-9-olate is sourced from PubChem (CID 157424876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).