tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)

C71H69F3N16O10S2V4 — CID 158025330

IUPACtert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)
SMILESCOc1ccc2nccc(-c3ccc(CCN)nc3)c2n1.COc1ccc2nccc(-c3ccc(CCNC(=O)OC(C)(C)C)nc3)c2n1.COc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)nc3)c2n1.COc1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2n1.[V].[V].[V].[V]
InChIInChI=1S/C24H22N6O2S.C21H24N4O3.C16H16N4O.C10H7F3N2O4S.4V/c1-32-22-7-5-19-23(30-22)18(9-11-26-19)15-2-3-16(27-12-15)8-10-25-13-17-4-6-20-24(28-17)29-21(31)14-33-20;1-21(2,3)28-20(26)23-11-9-15-6-5-14(13-24-15)16-10-12-22-17-7-8-18(27-4)25-19(16)17;1-21-15-5-4-14-16(20-15)13(7-9-18-14)11-2-3-12(6-8-17)19-10-11;1-18-8-3-2-6-9(15-8)7(4-5-14-6)19-20(16,17)10(11,12)13;;;;/h2-7,9,11-12,25H,8,10,13-14H2,1H3,(H,28,29,31);5-8,10,12-13H,9,11H2,1-4H3,(H,23,26);2-5,7,9-10H,6,8,17H2,1H3;2-5H,1H3;;;;
InChIKeyHTCUPSRSIYLOBX-UHFFFAOYSA-N
MW1631.34 g/mol
LogP11.30
Rot. Bonds19

About tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)

tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium) (PubChem CID 158025330) has the molecular formula C71H69F3N16O10S2V4 and a molecular weight of 1631.34 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium).

Molecular Properties

Compound Nametert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)
PubChem CID158025330
Molecular FormulaC71H69F3N16O10S2V4
Molecular Weight1631.34 g/mol
Exact Mass1630.25
IUPAC Nametert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)
SMILESCOc1ccc2nccc(-c3ccc(CCN)nc3)c2n1.COc1ccc2nccc(-c3ccc(CCNC(=O)OC(C)(C)C)nc3)c2n1.COc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)nc3)c2n1.COc1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2n1.[V].[V].[V].[V]
InChIInChI=1S/C24H22N6O2S.C21H24N4O3.C16H16N4O.C10H7F3N2O4S.4V/c1-32-22-7-5-19-23(30-22)18(9-11-26-19)15-2-3-16(27-12-15)8-10-25-13-17-4-6-20-24(28-17)29-21(31)14-33-20;1-21(2,3)28-20(26)23-11-9-15-6-5-14(13-24-15)16-10-12-22-17-7-8-18(27-4)25-19(16)17;1-21-15-5-4-14-16(20-15)13(7-9-18-14)11-2-3-12(6-8-17)19-10-11;1-18-8-3-2-6-9(15-8)7(4-5-14-6)19-20(16,17)10(11,12)13;;;;/h2-7,9,11-12,25H,8,10,13-14H2,1H3,(H,28,29,31);5-8,10,12-13H,9,11H2,1-4H3,(H,23,26);2-5,7,9-10H,6,8,17H2,1H3;2-5H,1H3;;;;
InChIKeyHTCUPSRSIYLOBX-UHFFFAOYSA-N
XLogP11.30
TPSA340.45 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.34
LogP ≤ 511.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium) with MolForge

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Launch Full Analysis

Related Compounds

6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69470127
6-[[[(3R,4R)-1-[2-(3,6-dimethoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44527655
6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44529865
6-[[[(3R,6S)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 73333521
6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10174208
6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10217776
6-[[[(2S,4R)-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10239701
6-[[[(2S,4S)-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10289641
6-[[[(3R,4S)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10311039
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10437677
6-({[(4-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-2-piperazinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one
CID 11511633
6-[(8-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-4-oxooctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one
CID 11519466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)?
The IUPAC name of tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium) (CID 158025330) is tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium).
What is the SMILES notation for tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)?
The canonical SMILES for tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium) is COc1ccc2nccc(-c3ccc(CCN)nc3)c2n1.COc1ccc2nccc(-c3ccc(CCNC(=O)OC(C)(C)C)nc3)c2n1.COc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CS5)nc3)c2n1.COc1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2n1.[V].[V].[V].[V].
What is the InChIKey of tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)?
The InChIKey is HTCUPSRSIYLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S.C21H24N4O3.C16H16N4O.C10H7F3N2O4S.4V/c1-32-22-7-5-19-23(30-22)18(9-11-26-19)15-2-3-16(27-12-15)8-10-25-13-17-4-6-20-24(28-17)29-21(31)14-33-20;1-21(2,3)28-20(26)23-11-9-15-6-5-14(13-24-15)16-10-12-22-17-7-8-18(27-4)25-19(16)17;1-21-15-5-4-14-16(20-15)13(7-9-18-14)11-2-3-12(6-8-17)19-10-11;1-18-8-3-2-6-9(15-8)7(4-5-14-6)19-20(16,17)10(11,12)13;;;;/h2-7,9,11-12,25H,8,10,13-14H2,1H3,(H,28,29,31);5-8,10,12-13H,9,11H2,1-4H3,(H,23,26);2-5,7,9-10H,6,8,17H2,1H3;2-5H,1H3;;;;.
What are the key properties of tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium)?
tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium) has a molecular weight of 1631.34 g/mol, XLogP of 11.30, 19 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethyl]carbamate;2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethanamine;6-[[2-[5-(6-methoxy-1,5-naphthyridin-4-yl)-2-pyridinyl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl) trifluoromethanesulfonate;tetrakis(vanadium) is sourced from PubChem (CID 158025330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).