azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride

C64H96ClIN20O8 — CID 157499456

IUPACazane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride
SMILESCCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1ncnc2ccn(C)c12.CCOC(=O)CCCCCCNc1cnccn1.Cl.Cn1ccc2ncnc(N(CCCCCCC(=O)NO)c3cnccn3)c21.Ic1cnccn1.N
InChIInChI=1S/C20H26N6O2.C18H23N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.H3N/c1-3-28-18(27)8-6-4-5-7-12-26(17-14-21-10-11-22-17)20-19-16(23-15-24-20)9-13-25(19)2;1-24-11-7-14-17(24)18(22-13-21-14)25(15-12-19-8-9-20-15)10-5-3-2-4-6-16(26)23-27;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h9-11,13-15H,3-8,12H2,1-2H3;7-9,11-13,27H,2-6,10H2,1H3,(H,23,26);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;1H;1H3
InChIKeySPIJCOPYHBPVHU-UHFFFAOYSA-N
MW1435.96 g/mol
LogP11.29
Rot. Bonds35

About azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride

azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride (PubChem CID 157499456) has the molecular formula C64H96ClIN20O8 and a molecular weight of 1435.96 g/mol. Its IUPAC name is azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride.

Molecular Properties

Compound Nameazane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride
PubChem CID157499456
Molecular FormulaC64H96ClIN20O8
Molecular Weight1435.96 g/mol
Exact Mass1434.65
IUPAC Nameazane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride
SMILESCCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1ncnc2ccn(C)c12.CCOC(=O)CCCCCCNc1cnccn1.Cl.Cn1ccc2ncnc(N(CCCCCCC(=O)NO)c3cnccn3)c21.Ic1cnccn1.N
InChIInChI=1S/C20H26N6O2.C18H23N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.H3N/c1-3-28-18(27)8-6-4-5-7-12-26(17-14-21-10-11-22-17)20-19-16(23-15-24-20)9-13-25(19)2;1-24-11-7-14-17(24)18(22-13-21-14)25(15-12-19-8-9-20-15)10-5-3-2-4-6-16(26)23-27;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h9-11,13-15H,3-8,12H2,1-2H3;7-9,11-13,27H,2-6,10H2,1H3,(H,23,26);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;1H;1H3
InChIKeySPIJCOPYHBPVHU-UHFFFAOYSA-N
XLogP11.29
TPSA372.30 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.96
LogP ≤ 511.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride with MolForge

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Related Compounds

bis(N-[2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]pyrimidin-2-amine);oxalic acid
CID 88491861
2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
CID 157322064
Methyl 2-(6-morpholin-4-yl-2-pyridin-2-ylpurin-7-yl)acetate;bis(2-(6-morpholin-4-yl-2-pyridin-2-ylpurin-7-yl)acetamide)
CID 157557093
(2-Amino-2-oxoethyl) 4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 3-(1-pyrazin-2-ylpiperidin-4-yl)propanoate
CID 158594050
ethyl 7-aminoheptanoate;ethyl 7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;phosphane;hydrochloride
CID 159442477
ethyl 7-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoate
CID 175189048
Ethyl 7-[4-[4-[[8-anilino-9-(1-prop-2-enoylpyrrolidin-3-yl)purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoate
CID 175189050
ethyl 7-[4-[4-[[8-anilino-9-[(3S)-pyrrolidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoate
CID 175365183
Ethyl 7-[4-[4-[(8-anilino-9-pyrrolidin-3-ylpurin-2-yl)amino]phenyl]piperazin-1-yl]heptanoate
CID 175365184

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride?
The IUPAC name of azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride (CID 157499456) is azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride.
What is the SMILES notation for azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride?
The canonical SMILES for azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride is CCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1ncnc2ccn(C)c12.CCOC(=O)CCCCCCNc1cnccn1.Cl.Cn1ccc2ncnc(N(CCCCCCC(=O)NO)c3cnccn3)c21.Ic1cnccn1.N.
What is the InChIKey of azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride?
The InChIKey is SPIJCOPYHBPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2.C18H23N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.H3N/c1-3-28-18(27)8-6-4-5-7-12-26(17-14-21-10-11-22-17)20-19-16(23-15-24-20)9-13-25(19)2;1-24-11-7-14-17(24)18(22-13-21-14)25(15-12-19-8-9-20-15)10-5-3-2-4-6-16(26)23-27;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h9-11,13-15H,3-8,12H2,1-2H3;7-9,11-13,27H,2-6,10H2,1H3,(H,23,26);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;1H;1H3.
What are the key properties of azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride?
azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride has a molecular weight of 1435.96 g/mol, XLogP of 11.29, 35 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 7-aminoheptanoate;ethyl 7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;hydrochloride is sourced from PubChem (CID 157499456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).