ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine

C98H152N20OS3 — CID 158840281

IUPACethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CCc1cc2ccoc2c(N2CCN(C)CC2)n1.CCc1cc2ccsc2c(N2CCN(C)CC2)n1.CCc1cc2cnccc2c(N2CCN(C)CC2)n1.CCc1cc2cscc2c(N2CCN(C)CC2)n1.CCc1cc2ncccc2c(N2CCN(C)CC2)n1.CCc1cc2sccc2c(N2CCN(C)CC2)n1
InChIInChI=1S/2C15H20N4.C14H19N3O.3C14H19N3S.6C2H6/c1-3-13-10-12-11-16-5-4-14(12)15(17-13)19-8-6-18(2)7-9-19;1-3-12-11-14-13(5-4-6-16-14)15(17-12)19-9-7-18(2)8-10-19;2*1-3-12-10-11-4-9-18-13(11)14(15-12)17-7-5-16(2)6-8-17;1-3-11-10-13-12(4-9-18-13)14(15-11)17-7-5-16(2)6-8-17;1-3-12-8-11-9-18-10-13(11)14(15-12)17-6-4-16(2)5-7-17;6*1-2/h4-5,10-11H,3,6-9H2,1-2H3;4-6,11H,3,7-10H2,1-2H3;3*4,9-10H,3,5-8H2,1-2H3;8-10H,3-7H2,1-2H3;6*1-2H3
InChIKeyIYDPQUARZHWDQD-UHFFFAOYSA-N
MW1722.63 g/mol
LogP20.02
Rot. Bonds12

About ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine

ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine (PubChem CID 158840281) has the molecular formula C98H152N20OS3 and a molecular weight of 1722.63 g/mol. Its IUPAC name is ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine.

Molecular Properties

Compound Nameethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine
PubChem CID158840281
Molecular FormulaC98H152N20OS3
Molecular Weight1722.63 g/mol
Exact Mass1721.16
IUPAC Nameethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CCc1cc2ccoc2c(N2CCN(C)CC2)n1.CCc1cc2ccsc2c(N2CCN(C)CC2)n1.CCc1cc2cnccc2c(N2CCN(C)CC2)n1.CCc1cc2cscc2c(N2CCN(C)CC2)n1.CCc1cc2ncccc2c(N2CCN(C)CC2)n1.CCc1cc2sccc2c(N2CCN(C)CC2)n1
InChIInChI=1S/2C15H20N4.C14H19N3O.3C14H19N3S.6C2H6/c1-3-13-10-12-11-16-5-4-14(12)15(17-13)19-8-6-18(2)7-9-19;1-3-12-11-14-13(5-4-6-16-14)15(17-12)19-9-7-18(2)8-10-19;2*1-3-12-10-11-4-9-18-13(11)14(15-12)17-7-5-16(2)6-8-17;1-3-11-10-13-12(4-9-18-13)14(15-11)17-7-5-16(2)6-8-17;1-3-12-8-11-9-18-10-13(11)14(15-12)17-6-4-16(2)5-7-17;6*1-2/h4-5,10-11H,3,6-9H2,1-2H3;4-6,11H,3,7-10H2,1-2H3;3*4,9-10H,3,5-8H2,1-2H3;8-10H,3-7H2,1-2H3;6*1-2H3
InChIKeyIYDPQUARZHWDQD-UHFFFAOYSA-N
XLogP20.02
TPSA155.14 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.63
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine?
The IUPAC name of ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine (CID 158840281) is ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine.
What is the SMILES notation for ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine?
The canonical SMILES for ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine is CC.CC.CC.CC.CC.CC.CCc1cc2ccoc2c(N2CCN(C)CC2)n1.CCc1cc2ccsc2c(N2CCN(C)CC2)n1.CCc1cc2cnccc2c(N2CCN(C)CC2)n1.CCc1cc2cscc2c(N2CCN(C)CC2)n1.CCc1cc2ncccc2c(N2CCN(C)CC2)n1.CCc1cc2sccc2c(N2CCN(C)CC2)n1.
What is the InChIKey of ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine?
The InChIKey is IYDPQUARZHWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20N4.C14H19N3O.3C14H19N3S.6C2H6/c1-3-13-10-12-11-16-5-4-14(12)15(17-13)19-8-6-18(2)7-9-19;1-3-12-11-14-13(5-4-6-16-14)15(17-12)19-9-7-18(2)8-10-19;2*1-3-12-10-11-4-9-18-13(11)14(15-12)17-7-5-16(2)6-8-17;1-3-11-10-13-12(4-9-18-13)14(15-11)17-7-5-16(2)6-8-17;1-3-12-8-11-9-18-10-13(11)14(15-12)17-6-4-16(2)5-7-17;6*1-2/h4-5,10-11H,3,6-9H2,1-2H3;4-6,11H,3,7-10H2,1-2H3;3*4,9-10H,3,5-8H2,1-2H3;8-10H,3-7H2,1-2H3;6*1-2H3.
What are the key properties of ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine?
ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine has a molecular weight of 1722.63 g/mol, XLogP of 20.02, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridine;3-ethyl-1-(4-methylpiperazin-1-yl)-2,6-naphthyridine;7-ethyl-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine;5-ethyl-7-(4-methylpiperazin-1-yl)thieno[2,3-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine;6-ethyl-4-(4-methylpiperazin-1-yl)thieno[3,4-c]pyridine is sourced from PubChem (CID 158840281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).