10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide

C18H21N5O5 — CID 167013523

IUPAC10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
SMILESCc1nc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CCOC2C3)n(C)c1C
InChIInChI=1S/C18H21N5O5/c1-9-10(2)21(3)12(20-9)6-19-17(26)11-7-22-8-13-23(4-5-28-13)18(27)14(22)16(25)15(11)24/h7,13,25H,4-6,8H2,1-3H3,(H,19,26)
InChIKeyABRFUESPUYJPMG-UHFFFAOYSA-N
MW387.40 g/mol
LogP-0.35
Rot. Bonds3

About 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide

10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide (PubChem CID 167013523) has the molecular formula C18H21N5O5 and a molecular weight of 387.40 g/mol. Its IUPAC name is 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide.

Molecular Properties

Compound Name10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
PubChem CID167013523
Molecular FormulaC18H21N5O5
Molecular Weight387.40 g/mol
Exact Mass387.15
IUPAC Name10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
SMILESCc1nc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CCOC2C3)n(C)c1C
InChIInChI=1S/C18H21N5O5/c1-9-10(2)21(3)12(20-9)6-19-17(26)11-7-22-8-13-23(4-5-28-13)18(27)14(22)16(25)15(11)24/h7,13,25H,4-6,8H2,1-3H3,(H,19,26)
InChIKeyABRFUESPUYJPMG-UHFFFAOYSA-N
XLogP-0.35
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide with MolForge

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Related Compounds

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 167013707
(3S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 66596574
N-[(3,5-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 146357729
N-[(4-chloro-2-fluorophenyl)methyl]-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 146357717
(3S,6R)-N-[(4-fluorophenyl)methyl]-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 102584023
(3S,7R)-N-(furan-3-ylmethyl)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 71592941
(3S)-N-[(3,5-difluoro-4-pyridinyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 167013504
(3S,7R)-N-(cyclohexylmethyl)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 118592022
(3S,7R)-11-hydroxy-7-methyl-9,12-dioxo-N-(oxolan-2-ylmethyl)-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 71592911
(3R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 176520150
(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide sodium salt
CID 67179015
(3R,6S)-10-hydroxy-6-methyl-8,11-dioxo-N-(pyridazin-4-ylmethyl)-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 163204720

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?
The IUPAC name of 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide (CID 167013523) is 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide.
What is the SMILES notation for 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?
The canonical SMILES for 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide is Cc1nc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CCOC2C3)n(C)c1C.
What is the InChIKey of 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?
The InChIKey is ABRFUESPUYJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5/c1-9-10(2)21(3)12(20-9)6-19-17(26)11-7-22-8-13-23(4-5-28-13)18(27)14(22)16(25)15(11)24/h7,13,25H,4-6,8H2,1-3H3,(H,19,26).
What are the key properties of 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?
10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide has a molecular weight of 387.40 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-8,11-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide is sourced from PubChem (CID 167013523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).