lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate

C74H84LiN11O11 — CID 157458090

IUPAClithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCCCC2)cn1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.O=C([O-])c1ccc(N2CCCCC2)cn1.[Li+]
InChIInChI=1S/C27H31N3O4.C21H22N4O2.C15H18N2O3.C11H14N2O2.Li/c1-27(2,3)34-26(32)29-22-11-9-19(25-8-7-15-33-25)16-20(22)17-24(31)23-12-10-21(18-28-23)30-13-5-4-6-14-30;22-18-5-3-15(21-2-1-11-27-21)12-16(18)13-20(26)19-6-4-17(14-24-19)25-9-7-23-8-10-25;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13;/h7-12,15-16,18H,4-6,13-14,17H2,1-3H3,(H,29,32);1-6,11-12,14,23H,7-10,13,22H2;4-9H,16H2,1-3H3,(H,17,18);4-5,8H,1-3,6-7H2,(H,14,15);/q;;;;+1/p-1
InChIKeyBTPFOJQJUOWQGV-UHFFFAOYSA-M
MW1310.49 g/mol
LogP10.18
Rot. Bonds15

About lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate

lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate (PubChem CID 157458090) has the molecular formula C74H84LiN11O11 and a molecular weight of 1310.49 g/mol. Its IUPAC name is lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namelithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
PubChem CID157458090
Molecular FormulaC74H84LiN11O11
Molecular Weight1310.49 g/mol
Exact Mass1309.65
IUPAC Namelithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCCCC2)cn1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.O=C([O-])c1ccc(N2CCCCC2)cn1.[Li+]
InChIInChI=1S/C27H31N3O4.C21H22N4O2.C15H18N2O3.C11H14N2O2.Li/c1-27(2,3)34-26(32)29-22-11-9-19(25-8-7-15-33-25)16-20(22)17-24(31)23-12-10-21(18-28-23)30-13-5-4-6-14-30;22-18-5-3-15(21-2-1-11-27-21)12-16(18)13-20(26)19-6-4-17(14-24-19)25-9-7-23-8-10-25;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13;/h7-12,15-16,18H,4-6,13-14,17H2,1-3H3,(H,29,32);1-6,11-12,14,23H,7-10,13,22H2;4-9H,16H2,1-3H3,(H,17,18);4-5,8H,1-3,6-7H2,(H,14,15);/q;;;;+1/p-1
InChIKeyBTPFOJQJUOWQGV-UHFFFAOYSA-M
XLogP10.18
TPSA302.81 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.49
LogP ≤ 510.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

carbon dioxide;4-(5-methylfuran-2-yl)pyridine;2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)aniline;5-pyridin-4-yl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 158391516
Tert-butyl 4-[6-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 134519001
tert-butyl N-[4-(furan-2-yl)-2-[[7-(4-methylpiperazin-1-yl)isoquinoline-3-carbonyl]amino]phenyl]carbamate
CID 134535375
tert-butyl N-[4-(furan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]amino]phenyl]carbamate
CID 134535597
tert-butyl N-[4-(furan-2-yl)-5-methyl-2-[[7-(4-methylpiperazin-1-yl)isoquinoline-3-carbonyl]amino]phenyl]carbamate
CID 146232022
tert-butyl N-[4-(furan-2-yl)-2-methyl-6-[[7-(4-methylpiperazin-1-yl)isoquinoline-3-carbonyl]amino]phenyl]carbamate
CID 155358392
2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate
CID 157091266
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
2-[2-amino-5-(furan-3-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-amino-4-(furan-3-yl)phenyl]carbamate;tert-butyl N-[4-(furan-3-yl)-2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]phenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 157481794
N-[2-amino-5-(furan-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl 4-[5-[[5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 157769613
1-(3-amino-4-deca-3,5-diynylphenyl)-4-piperidin-1-ylbutan-1-one;tert-butyl 5-(cyclohexylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;N-cyclohexyl-2-(cyclohexylmethyl)-5-methoxypyridin-3-amine;N-cyclohexyl-2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-yl)pyridin-3-amine;2-(cyclohexylmethyl)-5-(4-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
CID 157941843
6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 158019209

Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
The IUPAC name of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate (CID 157458090) is lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCCCC2)cn1.CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1N.Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.O=C([O-])c1ccc(N2CCCCC2)cn1.[Li+].
What is the InChIKey of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
The InChIKey is BTPFOJQJUOWQGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H31N3O4.C21H22N4O2.C15H18N2O3.C11H14N2O2.Li/c1-27(2,3)34-26(32)29-22-11-9-19(25-8-7-15-33-25)16-20(22)17-24(31)23-12-10-21(18-28-23)30-13-5-4-6-14-30;22-18-5-3-15(21-2-1-11-27-21)12-16(18)13-20(26)19-6-4-17(14-24-19)25-9-7-23-8-10-25;1-15(2,3)20-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-19-13;14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13;/h7-12,15-16,18H,4-6,13-14,17H2,1-3H3,(H,29,32);1-6,11-12,14,23H,7-10,13,22H2;4-9H,16H2,1-3H3,(H,17,18);4-5,8H,1-3,6-7H2,(H,14,15);/q;;;;+1/p-1.
What are the key properties of lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate?
lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate has a molecular weight of 1310.49 g/mol, XLogP of 10.18, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-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-oxo-2-(5-piperidin-1-yl-2-pyridinyl)ethyl]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 157458090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).