5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

C20H19N7O3S — CID 135499898

IUPAC5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESO=S1(=O)CCCCN1c1nc(-c2n[nH]c(Cc3ccncc3)n2)c(O)c2ncccc12
InChIInChI=1S/C20H19N7O3S/c28-18-16-14(4-3-7-22-16)20(27-10-1-2-11-31(27,29)30)24-17(18)19-23-15(25-26-19)12-13-5-8-21-9-6-13/h3-9,28H,1-2,10-12H2,(H,23,25,26)
InChIKeyLXENZLOWTIZKEW-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.04
Rot. Bonds4

About 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135499898) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135499898
Molecular FormulaC20H19N7O3S
Molecular Weight437.49 g/mol
Exact Mass437.13
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESO=S1(=O)CCCCN1c1nc(-c2n[nH]c(Cc3ccncc3)n2)c(O)c2ncccc12
InChIInChI=1S/C20H19N7O3S/c28-18-16-14(4-3-7-22-16)20(27-10-1-2-11-31(27,29)30)24-17(18)19-23-15(25-26-19)12-13-5-8-21-9-6-13/h3-9,28H,1-2,10-12H2,(H,23,25,26)
InChIKeyLXENZLOWTIZKEW-UHFFFAOYSA-N
XLogP2.04
TPSA137.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol with MolForge

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Related Compounds

7-[5-[(3,5-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-(1,1-dioxothiazinan-2-yl)-1,6-naphthyridin-8-ol
CID 135477801
5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol
CID 70998737
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 3013404
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 10238872
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 20816860
5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142215488
N-(2-amino-2-oxoethyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 70998753
[5-(1,1-dioxothiazinan-2-yl)-7-[(4-fluorophenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate
CID 59983162
5-(1,1-dioxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10303080
5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 70038018
methyl 5-(1,1-dioxothiazinan-2-yl)-3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696277
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135499898) is 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is O=S1(=O)CCCCN1c1nc(-c2n[nH]c(Cc3ccncc3)n2)c(O)c2ncccc12.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is LXENZLOWTIZKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S/c28-18-16-14(4-3-7-22-16)20(27-10-1-2-11-31(27,29)30)24-17(18)19-23-15(25-26-19)12-13-5-8-21-9-6-13/h3-9,28H,1-2,10-12H2,(H,23,25,26).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 437.49 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135499898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).