7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine

C19H24N4O2S — CID 59826295

IUPAC7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
SMILESO=S(=O)(c1ccc(CN2CCNCC2)cc1)N1CCc2cccnc2C1
InChIInChI=1S/C19H24N4O2S/c24-26(25,23-11-7-17-2-1-8-21-19(17)15-23)18-5-3-16(4-6-18)14-22-12-9-20-10-13-22/h1-6,8,20H,7,9-15H2
InChIKeyCGKRTXLKMLZISJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.23
Rot. Bonds4

About 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine

7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 59826295) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID59826295
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
SMILESO=S(=O)(c1ccc(CN2CCNCC2)cc1)N1CCc2cccnc2C1
InChIInChI=1S/C19H24N4O2S/c24-26(25,23-11-7-17-2-1-8-21-19(17)15-23)18-5-3-16(4-6-18)14-22-12-9-20-10-13-22/h1-6,8,20H,7,9-15H2
InChIKeyCGKRTXLKMLZISJ-UHFFFAOYSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine (CID 59826295) is 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine is O=S(=O)(c1ccc(CN2CCNCC2)cc1)N1CCc2cccnc2C1.
What is the InChIKey of 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is CGKRTXLKMLZISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-26(25,23-11-7-17-2-1-8-21-19(17)15-23)18-5-3-16(4-6-18)14-22-12-9-20-10-13-22/h1-6,8,20H,7,9-15H2.
What are the key properties of 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine?
7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 372.49 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 59826295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).