7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane

C82H84Cl2N24O6Sn — CID 161349344

IUPAC7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ncnc2nc(-c3ccc4cc5n(c4c3)CCNC5=O)[nH]c12.C=Cc1ncnc2nc(-c3ccc4cc5n(c4c3)CCNC5=O)[nH]c12.Nc1ncnc(Cl)c1N.O=C(O)c1ccc2cc3n(c2c1)CCNC3=O.O=C1NCCn2c1cc1ccc(-c3nc4ncnc(Cl)c4[nH]3)cc12
InChIInChI=1S/2C18H14N6O.C16H11ClN6O.C12H10N2O3.C4H5ClN4.3C4H9.C2H3.Sn/c2*1-2-12-15-17(21-9-20-12)23-16(22-15)11-4-3-10-7-14-18(25)19-5-6-24(14)13(10)8-11;17-13-12-15(20-7-19-13)22-14(21-12)9-2-1-8-5-11-16(24)18-3-4-23(11)10(8)6-9;15-11-10-5-7-1-2-8(12(16)17)6-9(7)14(10)4-3-13-11;5-3-2(6)4(7)9-1-8-3;3*1-3-4-2;1-2;/h2*2-4,7-9H,1,5-6H2,(H,19,25)(H,20,21,22,23);1-2,5-7H,3-4H2,(H,18,24)(H,19,20,21,22);1-2,5-6H,3-4H2,(H,13,15)(H,16,17);1H,6H2,(H2,7,8,9);3*1,3-4H2,2H3;1H,2H2;
InChIKeyVNSPTPFSIOJWED-UHFFFAOYSA-N
MW1691.35 g/mol
LogP14.03
Rot. Bonds16

About 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane

7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane (PubChem CID 161349344) has the molecular formula C82H84Cl2N24O6Sn and a molecular weight of 1691.35 g/mol. Its IUPAC name is 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane.

Molecular Properties

Compound Name7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane
PubChem CID161349344
Molecular FormulaC82H84Cl2N24O6Sn
Molecular Weight1691.35 g/mol
Exact Mass1690.54
IUPAC Name7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ncnc2nc(-c3ccc4cc5n(c4c3)CCNC5=O)[nH]c12.C=Cc1ncnc2nc(-c3ccc4cc5n(c4c3)CCNC5=O)[nH]c12.Nc1ncnc(Cl)c1N.O=C(O)c1ccc2cc3n(c2c1)CCNC3=O.O=C1NCCn2c1cc1ccc(-c3nc4ncnc(Cl)c4[nH]3)cc12
InChIInChI=1S/2C18H14N6O.C16H11ClN6O.C12H10N2O3.C4H5ClN4.3C4H9.C2H3.Sn/c2*1-2-12-15-17(21-9-20-12)23-16(22-15)11-4-3-10-7-14-18(25)19-5-6-24(14)13(10)8-11;17-13-12-15(20-7-19-13)22-14(21-12)9-2-1-8-5-11-16(24)18-3-4-23(11)10(8)6-9;15-11-10-5-7-1-2-8(12(16)17)6-9(7)14(10)4-3-13-11;5-3-2(6)4(7)9-1-8-3;3*1-3-4-2;1-2;/h2*2-4,7-9H,1,5-6H2,(H,19,25)(H,20,21,22,23);1-2,5-7H,3-4H2,(H,18,24)(H,19,20,21,22);1-2,5-6H,3-4H2,(H,13,15)(H,16,17);1H,6H2,(H2,7,8,9);3*1,3-4H2,2H3;1H,2H2;
InChIKeyVNSPTPFSIOJWED-UHFFFAOYSA-N
XLogP14.03
TPSA414.62 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001691.35
LogP ≤ 514.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane?
The IUPAC name of 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane (CID 161349344) is 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane.
What is the SMILES notation for 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane?
The canonical SMILES for 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane is C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ncnc2nc(-c3ccc4cc5n(c4c3)CCNC5=O)[nH]c12.C=Cc1ncnc2nc(-c3ccc4cc5n(c4c3)CCNC5=O)[nH]c12.Nc1ncnc(Cl)c1N.O=C(O)c1ccc2cc3n(c2c1)CCNC3=O.O=C1NCCn2c1cc1ccc(-c3nc4ncnc(Cl)c4[nH]3)cc12.
What is the InChIKey of 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane?
The InChIKey is VNSPTPFSIOJWED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N6O.C16H11ClN6O.C12H10N2O3.C4H5ClN4.3C4H9.C2H3.Sn/c2*1-2-12-15-17(21-9-20-12)23-16(22-15)11-4-3-10-7-14-18(25)19-5-6-24(14)13(10)8-11;17-13-12-15(20-7-19-13)22-14(21-12)9-2-1-8-5-11-16(24)18-3-4-23(11)10(8)6-9;15-11-10-5-7-1-2-8(12(16)17)6-9(7)14(10)4-3-13-11;5-3-2(6)4(7)9-1-8-3;3*1-3-4-2;1-2;/h2*2-4,7-9H,1,5-6H2,(H,19,25)(H,20,21,22,23);1-2,5-7H,3-4H2,(H,18,24)(H,19,20,21,22);1-2,5-6H,3-4H2,(H,13,15)(H,16,17);1H,6H2,(H2,7,8,9);3*1,3-4H2,2H3;1H,2H2;.
What are the key properties of 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane?
7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane has a molecular weight of 1691.35 g/mol, XLogP of 14.03, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-chloropyrimidine-4,5-diamine;bis(7-(6-ethenyl-7H-purin-8-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one);1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;tributyl(ethenyl)stannane is sourced from PubChem (CID 161349344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).