N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride

C60H87ClIN19O8 — CID 159848269

IUPACN-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride
SMILESC.COC(=O)CCCCCCN.COC(=O)CCCCCCN(c1cnccn1)c1ccn2nccc2n1.COC(=O)CCCCCCNc1cnccn1.Cl.Ic1cnccn1.O=C(CCCCCCN(c1cnccn1)c1ccn2nccc2n1)NO
InChIInChI=1S/C18H22N6O2.C17H21N7O2.C12H19N3O2.C8H17NO2.C4H3IN2.CH4.ClH/c1-26-18(25)6-4-2-3-5-12-23(17-14-19-10-11-20-17)15-8-13-24-16(22-15)7-9-21-24;25-17(22-26)5-3-1-2-4-11-23(16-13-18-9-10-19-16)14-7-12-24-15(21-14)6-8-20-24;1-17-12(16)6-4-2-3-5-7-14-11-10-13-8-9-15-11;1-11-8(10)6-4-2-3-5-7-9;5-4-3-6-1-2-7-4;;/h7-11,13-14H,2-6,12H2,1H3;6-10,12-13,26H,1-5,11H2,(H,22,25);8-10H,2-7H2,1H3,(H,14,15);2-7,9H2,1H3;1-3H;1H4;1H
InChIKeyGMVJDTPSAKOUMW-UHFFFAOYSA-N
MW1364.84 g/mol
LogP10.11
Rot. Bonds32

About N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride

N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride (PubChem CID 159848269) has the molecular formula C60H87ClIN19O8 and a molecular weight of 1364.84 g/mol. Its IUPAC name is N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride
PubChem CID159848269
Molecular FormulaC60H87ClIN19O8
Molecular Weight1364.84 g/mol
Exact Mass1363.57
IUPAC NameN-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride
SMILESC.COC(=O)CCCCCCN.COC(=O)CCCCCCN(c1cnccn1)c1ccn2nccc2n1.COC(=O)CCCCCCNc1cnccn1.Cl.Ic1cnccn1.O=C(CCCCCCN(c1cnccn1)c1ccn2nccc2n1)NO
InChIInChI=1S/C18H22N6O2.C17H21N7O2.C12H19N3O2.C8H17NO2.C4H3IN2.CH4.ClH/c1-26-18(25)6-4-2-3-5-12-23(17-14-19-10-11-20-17)15-8-13-24-16(22-15)7-9-21-24;25-17(22-26)5-3-1-2-4-11-23(16-13-18-9-10-19-16)14-7-12-24-15(21-14)6-8-20-24;1-17-12(16)6-4-2-3-5-7-14-11-10-13-8-9-15-11;1-11-8(10)6-4-2-3-5-7-9;5-4-3-6-1-2-7-4;;/h7-11,13-14H,2-6,12H2,1H3;6-10,12-13,26H,1-5,11H2,(H,22,25);8-10H,2-7H2,1H3,(H,14,15);2-7,9H2,1H3;1-3H;1H4;1H
InChIKeyGMVJDTPSAKOUMW-UHFFFAOYSA-N
XLogP10.11
TPSA336.26 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.84
LogP ≤ 510.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

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 N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

CID 157224173
CID 157224173
7-[[6-(dimethylamino)pyrimidin-4-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyrimidin-4-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrochloride;hydroiodide
CID 158852231
potassium;ethyl 7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanoate;hydride;N-hydroxy-7-[pyrazin-2-yl(pyrimidin-4-yl)amino]heptanamide;2-iodopyrazine;methane;N-pyrazin-2-ylpyrimidin-4-amine;pyrimidin-4-amine
CID 159299294
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-aminoheptanoate;ethyl 7-[imidazo[1,2-b]pyridazin-6-yl(pyrazin-2-yl)amino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[imidazo[1,2-b]pyridazin-6-yl(pyrazin-2-yl)amino]heptanamide;2-iodopyrazine;hydrochloride;hydrofluoride
CID 161943488

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride?
The IUPAC name of N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride (CID 159848269) is N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride.
What is the SMILES notation for N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride?
The canonical SMILES for N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride is C.COC(=O)CCCCCCN.COC(=O)CCCCCCN(c1cnccn1)c1ccn2nccc2n1.COC(=O)CCCCCCNc1cnccn1.Cl.Ic1cnccn1.O=C(CCCCCCN(c1cnccn1)c1ccn2nccc2n1)NO.
What is the InChIKey of N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride?
The InChIKey is GMVJDTPSAKOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2.C17H21N7O2.C12H19N3O2.C8H17NO2.C4H3IN2.CH4.ClH/c1-26-18(25)6-4-2-3-5-12-23(17-14-19-10-11-20-17)15-8-13-24-16(22-15)7-9-21-24;25-17(22-26)5-3-1-2-4-11-23(16-13-18-9-10-19-16)14-7-12-24-15(21-14)6-8-20-24;1-17-12(16)6-4-2-3-5-7-14-11-10-13-8-9-15-11;1-11-8(10)6-4-2-3-5-7-9;5-4-3-6-1-2-7-4;;/h7-11,13-14H,2-6,12H2,1H3;6-10,12-13,26H,1-5,11H2,(H,22,25);8-10H,2-7H2,1H3,(H,14,15);2-7,9H2,1H3;1-3H;1H4;1H.
What are the key properties of N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride?
N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride has a molecular weight of 1364.84 g/mol, XLogP of 10.11, 32 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanamide;2-iodopyrazine;methane;methyl 7-aminoheptanoate;methyl 7-(pyrazin-2-ylamino)heptanoate;methyl 7-[pyrazin-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]heptanoate;hydrochloride is sourced from PubChem (CID 159848269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).