bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)

C34H46N8Pt — CID 140814021

IUPACbis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)
SMILESCC(C)Cc1cnc(-c2[n-]nc3c2CCCC3(C)C)nc1.CC(C)Cc1cnc(-c2[n-]nc3c2CCCC3(C)C)nc1.[Pt+2]
InChIInChI=1S/2C17H23N4.Pt/c2*1-11(2)8-12-9-18-16(19-10-12)14-13-6-5-7-17(3,4)15(13)21-20-14;/h2*9-11H,5-8H2,1-4H3;/q2*-1;+2
InChIKeyNOPCGVYZHFAJJU-UHFFFAOYSA-N
MW761.88 g/mol
LogP6.61
Rot. Bonds6

About bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)

bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+) (PubChem CID 140814021) has the molecular formula C34H46N8Pt and a molecular weight of 761.88 g/mol. Its IUPAC name is bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+).

Molecular Properties

Compound Namebis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)
PubChem CID140814021
Molecular FormulaC34H46N8Pt
Molecular Weight761.88 g/mol
Exact Mass761.35
IUPAC Namebis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)
SMILESCC(C)Cc1cnc(-c2[n-]nc3c2CCCC3(C)C)nc1.CC(C)Cc1cnc(-c2[n-]nc3c2CCCC3(C)C)nc1.[Pt+2]
InChIInChI=1S/2C17H23N4.Pt/c2*1-11(2)8-12-9-18-16(19-10-12)14-13-6-5-7-17(3,4)15(13)21-20-14;/h2*9-11H,5-8H2,1-4H3;/q2*-1;+2
InChIKeyNOPCGVYZHFAJJU-UHFFFAOYSA-N
XLogP6.61
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.88
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)?
The IUPAC name of bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+) (CID 140814021) is bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+).
What is the SMILES notation for bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)?
The canonical SMILES for bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+) is CC(C)Cc1cnc(-c2[n-]nc3c2CCCC3(C)C)nc1.CC(C)Cc1cnc(-c2[n-]nc3c2CCCC3(C)C)nc1.[Pt+2].
What is the InChIKey of bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)?
The InChIKey is NOPCGVYZHFAJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H23N4.Pt/c2*1-11(2)8-12-9-18-16(19-10-12)14-13-6-5-7-17(3,4)15(13)21-20-14;/h2*9-11H,5-8H2,1-4H3;/q2*-1;+2.
What are the key properties of bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+)?
bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+) has a molecular weight of 761.88 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7,7-dimethyl-3-[5-(2-methylpropyl)pyrimidin-2-yl]-5,6-dihydro-4H-indazol-2-ide);platinum(2+) is sourced from PubChem (CID 140814021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).