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

C75H89N13O11 — CID 157481794

IUPAC2-[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
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1N.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccoc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccoc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C27H32N4O4.C22H24N4O2.C15H18N2O3.C11H15N3O2/c1-27(2,3)35-26(33)29-23-7-5-19(20-9-14-34-18-20)15-21(23)16-25(32)24-8-6-22(17-28-24)31-12-10-30(4)11-13-31;1-25-7-9-26(10-8-25)19-3-5-21(24-14-19)22(27)13-18-12-16(2-4-20(18)23)17-6-11-28-15-17;1-15(2,3)20-14(18)17-13-5-4-10(8-12(13)16)11-6-7-19-9-11;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9/h5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,29,33);2-6,11-12,14-15H,7-10,13,23H2,1H3;4-9H,16H2,1-3H3,(H,17,18);2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyBWFZKAIMFRFRFU-UHFFFAOYSA-N
MW1348.62 g/mol
LogP12.37
Rot. Bonds15

About 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

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 (PubChem CID 157481794) has the molecular formula C75H89N13O11 and a molecular weight of 1348.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157481794
Molecular FormulaC75H89N13O11
Molecular Weight1348.62 g/mol
Exact Mass1347.68
IUPAC Name2-[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
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1N.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccoc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccoc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C27H32N4O4.C22H24N4O2.C15H18N2O3.C11H15N3O2/c1-27(2,3)35-26(33)29-23-7-5-19(20-9-14-34-18-20)15-21(23)16-25(32)24-8-6-22(17-28-24)31-12-10-30(4)11-13-31;1-25-7-9-26(10-8-25)19-3-5-21(24-14-19)22(27)13-18-12-16(2-4-20(18)23)17-6-11-28-15-17;1-15(2,3)20-14(18)17-13-5-4-10(8-12(13)16)11-6-7-19-9-11;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9/h5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,29,33);2-6,11-12,14-15H,7-10,13,23H2,1H3;4-9H,16H2,1-3H3,(H,17,18);2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyBWFZKAIMFRFRFU-UHFFFAOYSA-N
XLogP12.37
TPSA297.67 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.62
LogP ≤ 512.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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)-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
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
2-[2-amino-5-(furan-3-yl)phenyl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxoethyl]phenyl]carbamate;6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 157521485
bis(tert-butyl N-[4-(furan-2-yl)-2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxoethyl]phenyl]carbamate);6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 157588589
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
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
lithium;N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl N-[2-amino-4-(furan-2-yl)phenyl]carbamate;tert-butyl N-[4-(furan-2-yl)-2-[(5-piperidin-1-ylpyridine-2-carbonyl)amino]phenyl]carbamate;5-piperidin-1-ylpyridine-2-carboxylate
CID 158694074
lithium;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrimidin-2-yl)ethanone;tert-butyl N-[2-amino-4-(furan-3-yl)phenyl]carbamate;tert-butyl 4-[2-[2-[5-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]pyrimidin-5-yl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-2-carboxylate
CID 158763351

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1N.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccoc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccoc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 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?
The InChIKey is BWFZKAIMFRFRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C22H24N4O2.C15H18N2O3.C11H15N3O2/c1-27(2,3)35-26(33)29-23-7-5-19(20-9-14-34-18-20)15-21(23)16-25(32)24-8-6-22(17-28-24)31-12-10-30(4)11-13-31;1-25-7-9-26(10-8-25)19-3-5-21(24-14-19)22(27)13-18-12-16(2-4-20(18)23)17-6-11-28-15-17;1-15(2,3)20-14(18)17-13-5-4-10(8-12(13)16)11-6-7-19-9-11;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9/h5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,29,33);2-6,11-12,14-15H,7-10,13,23H2,1H3;4-9H,16H2,1-3H3,(H,17,18);2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 1348.62 g/mol, XLogP of 12.37, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157481794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).