lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

C75H88LiN13O11 — CID 157183578

About lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate (PubChem CID 157183578) has the molecular formula C75H88LiN13O11 and a molecular weight of 1354.55 g/mol. Its IUPAC name is lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
• PubChem CID: 157183578
• Molecular Formula: C75H88LiN13O11
• Molecular Weight: 1354.55 g/mol
• Exact Mass: 1353.69
• IUPAC Name: lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccco4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccco4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)[O-])nc2)CC1.[Li+]
• InChI: InChI=1S/C27H32N4O4.C22H24N4O2.C15H18N2O3.C11H15N3O2.Li/c1-27(2,3)35-26(33)29-22-9-7-19(25-6-5-15-34-25)16-20(22)17-24(32)23-10-8-21(18-28-23)31-13-11-30(4)12-14-31;1-25-8-10-26(11-9-25)18-5-7-20(24-15-18)21(27)14-17-13-16(4-6-19(17)23)22-3-2-12-28-22;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9;/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,33);2-7,12-13,15H,8-11,14,23H2,1H3;4-9H,16H2,1-3H3,(H,17,18);2-3,8H,4-7H2,1H3,(H,15,16);/q;;;;+1/p-1
• InChIKey: AOVRKXANCLLBKA-UHFFFAOYSA-M
• XLogP: 8.04
• TPSA: 300.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.55
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?

The IUPAC name of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate (CID 157183578) is lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate.

What is the SMILES notation for lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?

The canonical SMILES for lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccco4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccco4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)[O-])nc2)CC1.[Li+].

What is the InChIKey of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?

The InChIKey is AOVRKXANCLLBKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H32N4O4.C22H24N4O2.C15H18N2O3.C11H15N3O2.Li/c1-27(2,3)35-26(33)29-22-9-7-19(25-6-5-15-34-25)16-20(22)17-24(32)23-10-8-21(18-28-23)31-13-11-30(4)12-14-31;1-25-8-10-26(11-9-25)18-5-7-20(24-15-18)21(27)14-17-13-16(4-6-19(17)23)22-3-2-12-28-22;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9;/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,33);2-7,12-13,15H,8-11,14,23H2,1H3;4-9H,16H2,1-3H3,(H,17,18);2-3,8H,4-7H2,1H3,(H,15,16);/q;;;;+1/p-1.

What are the key properties of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?

lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate has a molecular weight of 1354.55 g/mol, XLogP of 8.04, 15 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 157183578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).