6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

C25H27FN4O6 — CID 91155885

IUPAC6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(C(=O)CNCC(C)(C)O)O3
InChIInChI=1S/C25H27FN4O6/c1-25(2,35)12-28-10-16(31)17-11-30-20-19(21(32)18(24(30)34)23(33)27-3)29-9-14(22(20)36-17)8-13-4-6-15(26)7-5-13/h4-7,9,17,28,32,35H,8,10-12H2,1-3H3,(H,27,33)
InChIKeyUCPGHTMZFLKEHU-UHFFFAOYSA-N
MW498.51 g/mol
LogP0.88
Rot. Bonds8

About 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (PubChem CID 91155885) has the molecular formula C25H27FN4O6 and a molecular weight of 498.51 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
PubChem CID91155885
Molecular FormulaC25H27FN4O6
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(C(=O)CNCC(C)(C)O)O3
InChIInChI=1S/C25H27FN4O6/c1-25(2,35)12-28-10-16(31)17-11-30-20-19(21(32)18(24(30)34)23(33)27-3)29-9-14(22(20)36-17)8-13-4-6-15(26)7-5-13/h4-7,9,17,28,32,35H,8,10-12H2,1-3H3,(H,27,33)
InChIKeyUCPGHTMZFLKEHU-UHFFFAOYSA-N
XLogP0.88
TPSA142.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide with MolForge

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Related Compounds

1-[2-(Dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 58882920
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882940
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882965
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[2-(methyloxy)ethyl]-2-oxo-1-[2-oxo-2-(1-piperidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69480203
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 57391130
(3R)-6-[(4-fluorophenyl)methyl]-10-hydroxy-N,3-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
CID 54732964
(5S)-3-(4-Fluorobenzyl)-10-hydroxy-N-methyl-5-{[methyl(methylsulfonyl)amino]methyl}-8-oxo-5,6-dihydro-8H-[1,4]oxazino[2,3,4-de][1,5]naphthyridine-9-carboxamide
CID 54742243
N-(2-Ethoxyethyl)-3-(4-fluorobenzyl)-10-hydroxy-8-oxo-5,6-dihydro-4H,8H-pyrazino[3,2,1-de][1,5]naphthyridine-9-carboxamide
CID 54748778
3-(4-Fluorobenzyl)-10-hydroxy-5-(hydroxymethyl)-N-methyl-8-oxo-5,6-dihydro-8H-[1,4]oxazino[2,3,4-de][1,5]naphthyridine-9-carboxamide
CID 54748798
3-(4-Fluorobenzyl)-10-hydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)-8-oxo-5,6-dihydro-8H-[1,4]oxazino[2,3,4-de][1,5]naphthyridine-9-carboxamide
CID 54748799
3-(4-Fluorobenzyl)-10-hydroxy-5-(hydroxymethyl)-N-(2-methoxyethyl)-8-oxo-5,6-dihydro-8H-[1,4]oxazino[2,3,4-de][1,5]naphthyridine-9-carboxamide
CID 54748800
3-(4-Fluorobenzyl)-10-hydroxy-5-(hydroxymethyl)-8-oxo-N-[3-(pyrrolidin-1-yl)propyl]-5,6-dihydro-8H-[1,4]oxazino[2,3,4-de][1,5]naphthyridine-9-carboxamide
CID 54748801

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (CID 91155885) is 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(C(=O)CNCC(C)(C)O)O3.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The InChIKey is UCPGHTMZFLKEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O6/c1-25(2,35)12-28-10-16(31)17-11-30-20-19(21(32)18(24(30)34)23(33)27-3)29-9-14(22(20)36-17)8-13-4-6-15(26)7-5-13/h4-7,9,17,28,32,35H,8,10-12H2,1-3H3,(H,27,33).
What are the key properties of 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is sourced from PubChem (CID 91155885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).