6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C23H27N7O3S — CID 139502683

IUPAC6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CNC3CCN(C[C@@H]4CN5c6c(ncc(=O)n64)C=CC5O)CC3)nc2N1
InChIInChI=1S/C23H27N7O3S/c31-19-13-34-18-3-1-15(26-22(18)27-19)9-24-14-5-7-28(8-6-14)11-16-12-29-20(32)4-2-17-23(29)30(16)21(33)10-25-17/h1-4,10,14,16,20,24,32H,5-9,11-13H2,(H,26,27,31)/t16-,20?/m1/s1
InChIKeyHVPXQKUYDDBTCR-QRIPLOBPSA-N
MW481.58 g/mol
LogP0.64
Rot. Bonds5

About 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 139502683) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID139502683
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESO=C1CSc2ccc(CNC3CCN(C[C@@H]4CN5c6c(ncc(=O)n64)C=CC5O)CC3)nc2N1
InChIInChI=1S/C23H27N7O3S/c31-19-13-34-18-3-1-15(26-22(18)27-19)9-24-14-5-7-28(8-6-14)11-16-12-29-20(32)4-2-17-23(29)30(16)21(33)10-25-17/h1-4,10,14,16,20,24,32H,5-9,11-13H2,(H,26,27,31)/t16-,20?/m1/s1
InChIKeyHVPXQKUYDDBTCR-QRIPLOBPSA-N
XLogP0.64
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 139502688
7-fluoro-9-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]piperidin-1-yl]methyl]-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
CID 25073700
6-[[[1-[2-(3,6-dichloroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10348121
6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 71198205
6-[[[1-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 131739478
N-isoquinolin-5-yl-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 10026643
6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
CID 68890003
6-(hydroxymethyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11608093
6-[[[(3S,4S)-1-[2-(6,8-difluoroquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68568039
6-[[[1-[(5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 24856532
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44527659
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527658

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 139502683) is 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is O=C1CSc2ccc(CNC3CCN(C[C@@H]4CN5c6c(ncc(=O)n64)C=CC5O)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is HVPXQKUYDDBTCR-QRIPLOBPSA-N. The full InChI is InChI=1S/C23H27N7O3S/c31-19-13-34-18-3-1-15(26-22(18)27-19)9-24-14-5-7-28(8-6-14)11-16-12-29-20(32)4-2-17-23(29)30(16)21(33)10-25-17/h1-4,10,14,16,20,24,32H,5-9,11-13H2,(H,26,27,31)/t16-,20?/m1/s1.
What are the key properties of 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 481.58 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 139502683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).