5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one

C32H28N6OS — CID 19093703

IUPAC5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one
SMILESCCc1cc2c(c(Sc3ccccc3)cc(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC)n1
InChIInChI=1S/C32H28N6OS/c1-3-23-18-28-31(27(4-2)33-23)29(40-24-10-6-5-7-11-24)19-30(39)38(28)20-21-14-16-22(17-15-21)25-12-8-9-13-26(25)32-34-36-37-35-32/h5-19H,3-4,20H2,1-2H3,(H,34,35,36,37)
InChIKeyVOYRCYUKZQTOFF-UHFFFAOYSA-N
MW544.68 g/mol
LogP6.57
Rot. Bonds8

About 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one

5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one (PubChem CID 19093703) has the molecular formula C32H28N6OS and a molecular weight of 544.68 g/mol. Its IUPAC name is 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one
PubChem CID19093703
Molecular FormulaC32H28N6OS
Molecular Weight544.68 g/mol
Exact Mass544.20
IUPAC Name5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one
SMILESCCc1cc2c(c(Sc3ccccc3)cc(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC)n1
InChIInChI=1S/C32H28N6OS/c1-3-23-18-28-31(27(4-2)33-23)29(40-24-10-6-5-7-11-24)19-30(39)38(28)20-21-14-16-22(17-15-21)25-12-8-9-13-26(25)32-34-36-37-35-32/h5-19H,3-4,20H2,1-2H3,(H,34,35,36,37)
InChIKeyVOYRCYUKZQTOFF-UHFFFAOYSA-N
XLogP6.57
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
CID 19093788
6-methylsulfanyl-3-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 19811549
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
4-hydroxy-5,7-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,8-naphthyridin-2-one
CID 70322980
2-butyl-5-phenylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
CID 18962501
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 19892186
3-chloro-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862650
5-ethyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70197312
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 20604731
2-benzyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzimidazole-4,9-dione
CID 15294079
4-butan-2-yl-1-tert-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740549

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one?
The IUPAC name of 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one (CID 19093703) is 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one.
What is the SMILES notation for 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one?
The canonical SMILES for 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one is CCc1cc2c(c(Sc3ccccc3)cc(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC)n1.
What is the InChIKey of 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one?
The InChIKey is VOYRCYUKZQTOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6OS/c1-3-23-18-28-31(27(4-2)33-23)29(40-24-10-6-5-7-11-24)19-30(39)38(28)20-21-14-16-22(17-15-21)25-12-8-9-13-26(25)32-34-36-37-35-32/h5-19H,3-4,20H2,1-2H3,(H,34,35,36,37).
What are the key properties of 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one?
5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one has a molecular weight of 544.68 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-4-phenylsulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one is sourced from PubChem (CID 19093703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).