N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide

C24H21F2N3O3 — CID 166526478

IUPACN-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)N(C)[C@H]3COCc4[nH]c(=O)c5cc(F)c(F)cc5c43)cc2c1
InChIInChI=1S/C24H21F2N3O3/c1-3-12-4-5-18-13(6-12)7-19(27-18)24(31)29(2)21-11-32-10-20-22(21)14-8-16(25)17(26)9-15(14)23(30)28-20/h4-9,21,27H,3,10-11H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyAJXWOMYOGYYTID-NRFANRHFSA-N
MW437.45 g/mol
LogP4.19
Rot. Bonds3

About N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide

N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 166526478) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide
PubChem CID166526478
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)N(C)[C@H]3COCc4[nH]c(=O)c5cc(F)c(F)cc5c43)cc2c1
InChIInChI=1S/C24H21F2N3O3/c1-3-12-4-5-18-13(6-12)7-19(27-18)24(31)29(2)21-11-32-10-20-22(21)14-8-16(25)17(26)9-15(14)23(30)28-20/h4-9,21,27H,3,10-11H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyAJXWOMYOGYYTID-NRFANRHFSA-N
XLogP4.19
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526733
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166526395
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 166526220
N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 166526836
4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526011
N-(8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166526968
4-chloro-N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526738
7-chloro-N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166526707
4-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526778
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-4-isocyano-N-methyl-1H-indole-2-carboxamide
CID 171750583
6-(difluoromethyl)-5-fluoro-N-[(1S)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525870

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide (CID 166526478) is N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)N(C)[C@H]3COCc4[nH]c(=O)c5cc(F)c(F)cc5c43)cc2c1.
What is the InChIKey of N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is AJXWOMYOGYYTID-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c1-3-12-4-5-18-13(6-12)7-19(27-18)24(31)29(2)21-11-32-10-20-22(21)14-8-16(25)17(26)9-15(14)23(30)28-20/h4-9,21,27H,3,10-11H2,1-2H3,(H,28,30)/t21-/m0/s1.
What are the key properties of N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide?
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-5-ethyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166526478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).