ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide

C70H91N15O12 — CID 158276101

IUPACethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide
SMILESCCO.CCOC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(OCc2ccccc2)c1=O.CN.CNC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(O)c1=O.CNC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(OCc2ccccc2)c1=O.CO
InChIInChI=1S/C25H28N4O4.C24H27N5O3.C17H21N5O3.C2H6O.CH5N.CH4O/c1-3-32-25(31)23-24(30)22(33-18-19-9-5-4-6-10-19)17-29(26-23)21-12-8-7-11-20(21)28-15-13-27(2)14-16-28;1-25-24(31)22-23(30)21(32-17-18-8-4-3-5-9-18)16-29(26-22)20-11-7-6-10-19(20)28-14-12-27(2)13-15-28;1-18-17(25)15-16(24)14(23)11-22(19-15)13-6-4-3-5-12(13)21-9-7-20(2)8-10-21;1-2-3;2*1-2/h4-12,17H,3,13-16,18H2,1-2H3;3-11,16H,12-15,17H2,1-2H3,(H,25,31);3-6,11,23H,7-10H2,1-2H3,(H,18,25);3H,2H2,1H3;2H2,1H3;2H,1H3
InChIKeyGJPVCVXNYPTJBW-UHFFFAOYSA-N
MW1334.59 g/mol
LogP3.89
Rot. Bonds16

About ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide

ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide (PubChem CID 158276101) has the molecular formula C70H91N15O12 and a molecular weight of 1334.59 g/mol. Its IUPAC name is ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide.

Molecular Properties

Compound Nameethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide
PubChem CID158276101
Molecular FormulaC70H91N15O12
Molecular Weight1334.59 g/mol
Exact Mass1333.70
IUPAC Nameethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide
SMILESCCO.CCOC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(OCc2ccccc2)c1=O.CN.CNC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(O)c1=O.CNC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(OCc2ccccc2)c1=O.CO
InChIInChI=1S/C25H28N4O4.C24H27N5O3.C17H21N5O3.C2H6O.CH5N.CH4O/c1-3-32-25(31)23-24(30)22(33-18-19-9-5-4-6-10-19)17-29(26-23)21-12-8-7-11-20(21)28-15-13-27(2)14-16-28;1-25-24(31)22-23(30)21(32-17-18-8-4-3-5-9-18)16-29(26-22)20-11-7-6-10-19(20)28-14-12-27(2)13-15-28;1-18-17(25)15-16(24)14(23)11-22(19-15)13-6-4-3-5-12(13)21-9-7-20(2)8-10-21;1-2-3;2*1-2/h4-12,17H,3,13-16,18H2,1-2H3;3-11,16H,12-15,17H2,1-2H3,(H,25,31);3-6,11,23H,7-10H2,1-2H3,(H,18,25);3H,2H2,1H3;2H2,1H3;2H,1H3
InChIKeyGJPVCVXNYPTJBW-UHFFFAOYSA-N
XLogP3.89
TPSA313.78 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.59
LogP ≤ 53.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide?
The IUPAC name of ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide (CID 158276101) is ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide.
What is the SMILES notation for ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide?
The canonical SMILES for ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide is CCO.CCOC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(OCc2ccccc2)c1=O.CN.CNC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(O)c1=O.CNC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(OCc2ccccc2)c1=O.CO.
What is the InChIKey of ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide?
The InChIKey is GJPVCVXNYPTJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4.C24H27N5O3.C17H21N5O3.C2H6O.CH5N.CH4O/c1-3-32-25(31)23-24(30)22(33-18-19-9-5-4-6-10-19)17-29(26-23)21-12-8-7-11-20(21)28-15-13-27(2)14-16-28;1-25-24(31)22-23(30)21(32-17-18-8-4-3-5-9-18)16-29(26-22)20-11-7-6-10-19(20)28-14-12-27(2)13-15-28;1-18-17(25)15-16(24)14(23)11-22(19-15)13-6-4-3-5-12(13)21-9-7-20(2)8-10-21;1-2-3;2*1-2/h4-12,17H,3,13-16,18H2,1-2H3;3-11,16H,12-15,17H2,1-2H3,(H,25,31);3-6,11,23H,7-10H2,1-2H3,(H,18,25);3H,2H2,1H3;2H2,1H3;2H,1H3.
What are the key properties of ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide?
ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide has a molecular weight of 1334.59 g/mol, XLogP of 3.89, 16 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide is sourced from PubChem (CID 158276101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).