dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc

C82H97BrCl3Cs2N29O3Zn — CID 159064791

IUPACdicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc
SMILESCCCCCN.CCCCCNc1nc(Cl)nc2ccn(Cc3ccc(C#N)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(-c4nn[nH]n4)cc3C)c12.CCCCCNc1nc(N=[N+]=[N-])nc2ccn(Cc3ccc(-c4nn[nH]n4)cc3C)c12.Cc1cc(C#N)ccc1CBr.Clc1nc(Cl)c2c(n1)C=CC2.O=CO[O-].[Cs+].[Cs+].[H-].[Zn]
InChIInChI=1S/C20H22ClN5.C20H23N11.C20H25N9.C9H8BrN.C7H4Cl2N2.C5H13N.CH2O3.2Cs.Zn.H/c1-3-4-5-9-23-19-18-17(24-20(21)25-19)8-10-26(18)13-16-7-6-15(12-22)11-14(16)2;1-3-4-5-9-22-19-17-16(23-20(24-19)27-28-21)8-10-31(17)12-15-7-6-14(11-13(15)2)18-25-29-30-26-18;1-3-4-5-9-22-19-17-16(23-20(21)24-19)8-10-29(17)12-15-7-6-14(11-13(15)2)18-25-27-28-26-18;1-7-4-8(6-11)2-3-9(7)5-10;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-5-6;2-1-4-3;;;;/h6-8,10-11H,3-5,9,13H2,1-2H3,(H,23,24,25);6-8,10-11H,3-5,9,12H2,1-2H3,(H,22,23,24)(H,25,26,29,30);6-8,10-11H,3-5,9,12H2,1-2H3,(H3,21,22,23,24)(H,25,26,27,28);2-4H,5H2,1H3;1,3H,2H2;2-6H2,1H3;1,3H;;;;/q;;;;;;;2*+1;;-1/p-1
InChIKeyIGXMBTUYHFLUPF-UHFFFAOYSA-M
MW2054.34 g/mol
LogP11.38
Rot. Bonds29

About dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc

dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc (PubChem CID 159064791) has the molecular formula C82H97BrCl3Cs2N29O3Zn and a molecular weight of 2054.34 g/mol. Its IUPAC name is dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc.

Molecular Properties

Compound Namedicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc
PubChem CID159064791
Molecular FormulaC82H97BrCl3Cs2N29O3Zn
Molecular Weight2054.34 g/mol
Exact Mass2049.40
IUPAC Namedicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc
SMILESCCCCCN.CCCCCNc1nc(Cl)nc2ccn(Cc3ccc(C#N)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(-c4nn[nH]n4)cc3C)c12.CCCCCNc1nc(N=[N+]=[N-])nc2ccn(Cc3ccc(-c4nn[nH]n4)cc3C)c12.Cc1cc(C#N)ccc1CBr.Clc1nc(Cl)c2c(n1)C=CC2.O=CO[O-].[Cs+].[Cs+].[H-].[Zn]
InChIInChI=1S/C20H22ClN5.C20H23N11.C20H25N9.C9H8BrN.C7H4Cl2N2.C5H13N.CH2O3.2Cs.Zn.H/c1-3-4-5-9-23-19-18-17(24-20(21)25-19)8-10-26(18)13-16-7-6-15(12-22)11-14(16)2;1-3-4-5-9-22-19-17-16(23-20(24-19)27-28-21)8-10-31(17)12-15-7-6-14(11-13(15)2)18-25-29-30-26-18;1-3-4-5-9-22-19-17-16(23-20(21)24-19)8-10-29(17)12-15-7-6-14(11-13(15)2)18-25-27-28-26-18;1-7-4-8(6-11)2-3-9(7)5-10;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-5-6;2-1-4-3;;;;/h6-8,10-11H,3-5,9,13H2,1-2H3,(H,23,24,25);6-8,10-11H,3-5,9,12H2,1-2H3,(H,22,23,24)(H,25,26,29,30);6-8,10-11H,3-5,9,12H2,1-2H3,(H3,21,22,23,24)(H,25,26,27,28);2-4H,5H2,1H3;1,3H,2H2;2-6H2,1H3;1,3H;;;;/q;;;;;;;2*+1;;-1/p-1
InChIKeyIGXMBTUYHFLUPF-UHFFFAOYSA-M
XLogP11.38
TPSA460.66 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.34
LogP ≤ 511.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc?
The IUPAC name of dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc (CID 159064791) is dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc.
What is the SMILES notation for dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc?
The canonical SMILES for dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc is CCCCCN.CCCCCNc1nc(Cl)nc2ccn(Cc3ccc(C#N)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(-c4nn[nH]n4)cc3C)c12.CCCCCNc1nc(N=[N+]=[N-])nc2ccn(Cc3ccc(-c4nn[nH]n4)cc3C)c12.Cc1cc(C#N)ccc1CBr.Clc1nc(Cl)c2c(n1)C=CC2.O=CO[O-].[Cs+].[Cs+].[H-].[Zn].
What is the InChIKey of dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc?
The InChIKey is IGXMBTUYHFLUPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22ClN5.C20H23N11.C20H25N9.C9H8BrN.C7H4Cl2N2.C5H13N.CH2O3.2Cs.Zn.H/c1-3-4-5-9-23-19-18-17(24-20(21)25-19)8-10-26(18)13-16-7-6-15(12-22)11-14(16)2;1-3-4-5-9-22-19-17-16(23-20(24-19)27-28-21)8-10-31(17)12-15-7-6-14(11-13(15)2)18-25-29-30-26-18;1-3-4-5-9-22-19-17-16(23-20(21)24-19)8-10-29(17)12-15-7-6-14(11-13(15)2)18-25-27-28-26-18;1-7-4-8(6-11)2-3-9(7)5-10;8-6-4-2-1-3-5(4)10-7(9)11-6;1-2-3-4-5-6;2-1-4-3;;;;/h6-8,10-11H,3-5,9,13H2,1-2H3,(H,23,24,25);6-8,10-11H,3-5,9,12H2,1-2H3,(H,22,23,24)(H,25,26,29,30);6-8,10-11H,3-5,9,12H2,1-2H3,(H3,21,22,23,24)(H,25,26,27,28);2-4H,5H2,1H3;1,3H,2H2;2-6H2,1H3;1,3H;;;;/q;;;;;;;2*+1;;-1/p-1.
What are the key properties of dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc?
dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc has a molecular weight of 2054.34 g/mol, XLogP of 11.38, 29 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;2-azido-5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-N-pentylpyrrolo[3,2-d]pyrimidin-4-amine;4-(bromomethyl)-3-methylbenzonitrile;4-[[2-chloro-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylbenzonitrile;2,4-dichloro-5H-cyclopenta[d]pyrimidine;hydride;5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;oxido formate;pentan-1-amine;zinc is sourced from PubChem (CID 159064791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).