2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C23H26N4O2S — CID 653472

IUPAC2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2ccc3c(C)cc(C)nc3n2)CC1
InChIInChI=1S/C23H26N4O2S/c1-16-14-17(2)24-23-18(16)8-9-21(25-23)30-15-22(28)27-12-10-26(11-13-27)19-6-4-5-7-20(19)29-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyUSYDQJCHUBCODT-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.70
Rot. Bonds5

About 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 653472) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID653472
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2ccc3c(C)cc(C)nc3n2)CC1
InChIInChI=1S/C23H26N4O2S/c1-16-14-17(2)24-23-18(16)8-9-21(25-23)30-15-22(28)27-12-10-26(11-13-27)19-6-4-5-7-20(19)29-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyUSYDQJCHUBCODT-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 653472) is 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)CSc2ccc3c(C)cc(C)nc3n2)CC1.
What is the InChIKey of 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is USYDQJCHUBCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-14-17(2)24-23-18(16)8-9-21(25-23)30-15-22(28)27-12-10-26(11-13-27)19-6-4-5-7-20(19)29-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 422.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-1,8-naphthyridin-2-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).