tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

C19H22FN3O5S — CID 118187205

IUPACtert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(O)C2
InChIInChI=1S/C19H22FN3O5S/c1-19(2,3)28-18(25)22-13-8-17-16(21-10-13)9-14(24)11-23(17)29(26,27)15-6-4-12(20)5-7-15/h4-8,10,14,24H,9,11H2,1-3H3,(H,22,25)
InChIKeyAEOIIKJFSJEZFP-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate

tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (PubChem CID 118187205) has the molecular formula C19H22FN3O5S and a molecular weight of 423.47 g/mol. Its IUPAC name is tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
PubChem CID118187205
Molecular FormulaC19H22FN3O5S
Molecular Weight423.47 g/mol
Exact Mass423.13
IUPAC Nametert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(O)C2
InChIInChI=1S/C19H22FN3O5S/c1-19(2,3)28-18(25)22-13-8-17-16(21-10-13)9-14(24)11-23(17)29(26,27)15-6-4-12(20)5-7-15/h4-8,10,14,24H,9,11H2,1-3H3,(H,22,25)
InChIKeyAEOIIKJFSJEZFP-UHFFFAOYSA-N
XLogP2.68
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate with MolForge

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Related Compounds

US10221146, Example 73
CID 118185251
Tert-butyl (5-((3,4-difluorophenyl)sulfonyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)carbamate
CID 118187216
US10221146, Example 72
CID 118187349
(S or R)-neopentyl (5-((4-fluorophenyl)sulfonyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)carbamate
CID 118187455
(R or S)-neopentyl (5-((4-fluorophenyl)sulfonyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)carbamate
CID 118187459
(S)-tert-butyl (5-((4-fluorophenyl)sulfonyl)-6-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)carbamate
CID 139267873
(S)-benzyl tert-butyl (1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydro-1,5-naphthyridine-3,7-diyl)dicarbamate
CID 139267874
Tert-butyl (7-(hydroxymethyl)-5-(m-tolylsulfonyl)-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)carbamate
CID 118187218
[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
CID 118163463
[5-(3,4-difluorophenyl)sulfonyl-7-(hydroxymethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
CID 118163579
[5-(4-fluorophenyl)sulfonyl-7-(hydroxymethyl)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
CID 118163582
[7-(carboxyamino)-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamic acid
CID 118163622

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate (CID 118187205) is tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC(O)C2.
What is the InChIKey of tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
The InChIKey is AEOIIKJFSJEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S/c1-19(2,3)28-18(25)22-13-8-17-16(21-10-13)9-14(24)11-23(17)29(26,27)15-6-4-12(20)5-7-15/h4-8,10,14,24H,9,11H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate?
tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-fluorophenyl)sulfonyl-7-hydroxy-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 118187205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).