N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide

C23H20F2N2O4 — CID 166526763

IUPACN-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
SMILESCN(C(=O)C1(O)Cc2ccccc2C1)[C@@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H20F2N2O4/c1-27(22(29)23(30)8-12-4-2-3-5-13(12)9-23)19-11-31-10-18-20(19)14-6-16(24)17(25)7-15(14)21(28)26-18/h2-7,19,30H,8-11H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyHUKDBGBQUCDASM-LJQANCHMSA-N
MW426.42 g/mol
LogP2.37
Rot. Bonds2

About N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide

N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide (PubChem CID 166526763) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
PubChem CID166526763
Molecular FormulaC23H20F2N2O4
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC NameN-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
SMILESCN(C(=O)C1(O)Cc2ccccc2C1)[C@@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H20F2N2O4/c1-27(22(29)23(30)8-12-4-2-3-5-13(12)9-23)19-11-31-10-18-20(19)14-6-16(24)17(25)7-15(14)21(28)26-18/h2-7,19,30H,8-11H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyHUKDBGBQUCDASM-LJQANCHMSA-N
XLogP2.37
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide with MolForge

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Related Compounds

N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 166526006
N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-5,6-difluoro-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 166526595
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166527009
N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methylindolizine-1-carboxamide
CID 166526670
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(3-fluorophenyl)-N-methylbenzamide
CID 167525062
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-fluoro-N-methyl-5-phenoxybenzamide
CID 166526544
3-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-4-fluoro-N-methylbenzamide
CID 166526199
1-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 156504685
1-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(4-fluoro-3-methylphenyl)-1-methylurea
CID 156504518
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-4-(4-fluorophenoxy)-N-methylbenzamide
CID 166525975
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-3-(2-hydroxypropan-2-yl)-N-methylbenzamide
CID 166526393
4-bromo-N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-2,5-difluoro-N-methylbenzamide
CID 166526545

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide (CID 166526763) is N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide is CN(C(=O)C1(O)Cc2ccccc2C1)[C@@H]1COCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is HUKDBGBQUCDASM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c1-27(22(29)23(30)8-12-4-2-3-5-13(12)9-23)19-11-31-10-18-20(19)14-6-16(24)17(25)7-15(14)21(28)26-18/h2-7,19,30H,8-11H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 166526763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).