azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C19H27Cl2N7O2Pt — CID 46830063

IUPACazane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl[Pt]Cl.N.N
InChIInChI=1S/C19H21N5O2.2ClH.2H3N.Pt/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;;;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H;2*1H3;/q;;;;;+2/p-2
InChIKeySWMAYGALQOKDPH-UHFFFAOYSA-L
MW651.46 g/mol
LogP3.26
Rot. Bonds2

About azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 46830063) has the molecular formula C19H27Cl2N7O2Pt and a molecular weight of 651.46 g/mol. Its IUPAC name is azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Nameazane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID46830063
Molecular FormulaC19H27Cl2N7O2Pt
Molecular Weight651.46 g/mol
Exact Mass650.13
IUPAC Nameazane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl[Pt]Cl.N.N
InChIInChI=1S/C19H21N5O2.2ClH.2H3N.Pt/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;;;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H;2*1H3;/q;;;;;+2/p-2
InChIKeySWMAYGALQOKDPH-UHFFFAOYSA-L
XLogP3.26
TPSA138.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.46
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 46830063) is azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl[Pt]Cl.N.N.
What is the InChIKey of azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is SWMAYGALQOKDPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H21N5O2.2ClH.2H3N.Pt/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;;;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H;2*1H3;/q;;;;;+2/p-2.
What are the key properties of azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 651.46 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 46830063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).