5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

C87H84N20O9S2 — CID 159951910

IUPAC5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCN1CCOc2cc(-c3ccc(C(=O)Nc4cnccc4N4CCNCC4)o3)ccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3[nH]ncc3c2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3sccc3c2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3scnc3c2)o1
InChIInChI=1S/C23H25N5O3.C22H20N4O2S.C21H20N6O2.C21H19N5O2S/c1-27-12-13-30-22-14-16(2-3-19(22)27)20-4-5-21(31-20)23(29)26-17-15-25-7-6-18(17)28-10-8-24-9-11-28;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)20-3-2-19(28-20)15-1-4-21-16(13-15)6-12-29-21;28-21(25-17-13-23-6-5-18(17)27-9-7-22-8-10-27)20-4-3-19(29-20)14-1-2-16-15(11-14)12-24-26-16;27-21(25-16-12-23-6-5-17(16)26-9-7-22-8-10-26)19-3-2-18(28-19)14-1-4-20-15(11-14)24-13-29-20/h2-7,14-15,24H,8-13H2,1H3,(H,26,29);1-7,12-14,23H,8-11H2,(H,25,27);1-6,11-13,22H,7-10H2,(H,24,26)(H,25,28);1-6,11-13,22H,7-10H2,(H,25,27)
InChIKeyOCFMAMVDLCJMRV-UHFFFAOYSA-N
MW1617.89 g/mol
LogP13.54
Rot. Bonds16

About 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 159951910) has the molecular formula C87H84N20O9S2 and a molecular weight of 1617.89 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
PubChem CID159951910
Molecular FormulaC87H84N20O9S2
Molecular Weight1617.89 g/mol
Exact Mass1616.62
IUPAC Name5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCN1CCOc2cc(-c3ccc(C(=O)Nc4cnccc4N4CCNCC4)o3)ccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3[nH]ncc3c2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3sccc3c2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3scnc3c2)o1
InChIInChI=1S/C23H25N5O3.C22H20N4O2S.C21H20N6O2.C21H19N5O2S/c1-27-12-13-30-22-14-16(2-3-19(22)27)20-4-5-21(31-20)23(29)26-17-15-25-7-6-18(17)28-10-8-24-9-11-28;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)20-3-2-19(28-20)15-1-4-21-16(13-15)6-12-29-21;28-21(25-17-13-23-6-5-18(17)27-9-7-22-8-10-27)20-4-3-19(29-20)14-1-2-16-15(11-14)12-24-26-16;27-21(25-16-12-23-6-5-17(16)26-9-7-22-8-10-26)19-3-2-18(28-19)14-1-4-20-15(11-14)24-13-29-20/h2-7,14-15,24H,8-13H2,1H3,(H,26,29);1-7,12-14,23H,8-11H2,(H,25,27);1-6,11-13,22H,7-10H2,(H,24,26)(H,25,28);1-6,11-13,22H,7-10H2,(H,25,27)
InChIKeyOCFMAMVDLCJMRV-UHFFFAOYSA-N
XLogP13.54
TPSA335.64 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001617.89
LogP ≤ 513.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 159951910) is 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is CN1CCOc2cc(-c3ccc(C(=O)Nc4cnccc4N4CCNCC4)o3)ccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3[nH]ncc3c2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3sccc3c2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3scnc3c2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The InChIKey is OCFMAMVDLCJMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3.C22H20N4O2S.C21H20N6O2.C21H19N5O2S/c1-27-12-13-30-22-14-16(2-3-19(22)27)20-4-5-21(31-20)23(29)26-17-15-25-7-6-18(17)28-10-8-24-9-11-28;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)20-3-2-19(28-20)15-1-4-21-16(13-15)6-12-29-21;28-21(25-17-13-23-6-5-18(17)27-9-7-22-8-10-27)20-4-3-19(29-20)14-1-2-16-15(11-14)12-24-26-16;27-21(25-16-12-23-6-5-17(16)26-9-7-22-8-10-26)19-3-2-18(28-19)14-1-4-20-15(11-14)24-13-29-20/h2-7,14-15,24H,8-13H2,1H3,(H,26,29);1-7,12-14,23H,8-11H2,(H,25,27);1-6,11-13,22H,7-10H2,(H,24,26)(H,25,28);1-6,11-13,22H,7-10H2,(H,25,27).
What are the key properties of 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 1617.89 g/mol, XLogP of 13.54, 16 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 159951910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).