N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

C23H19F5N4O2 — CID 156504510

IUPACN-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCN(C(=O)N1Cc2ccc(C(F)(F)F)cc2C1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H19F5N4O2/c1-31(22(34)32-9-11-2-3-13(23(26,27)28)4-12(11)10-32)19-8-29-7-18-20(19)14-5-16(24)17(25)6-15(14)21(33)30-18/h2-6,19,29H,7-10H2,1H3,(H,30,33)/t19-/m0/s1
InChIKeyBXJQBHFHVFVEFR-IBGZPJMESA-N
MW478.42 g/mol
LogP4.04
Rot. Bonds1

About N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 156504510) has the molecular formula C23H19F5N4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID156504510
Molecular FormulaC23H19F5N4O2
Molecular Weight478.42 g/mol
Exact Mass478.14
IUPAC NameN-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCN(C(=O)N1Cc2ccc(C(F)(F)F)cc2C1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H19F5N4O2/c1-31(22(34)32-9-11-2-3-13(23(26,27)28)4-12(11)10-32)19-8-29-7-18-20(19)14-5-16(24)17(25)6-15(14)21(33)30-18/h2-6,19,29H,7-10H2,1H3,(H,30,33)/t19-/m0/s1
InChIKeyBXJQBHFHVFVEFR-IBGZPJMESA-N
XLogP4.04
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-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-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 156504288
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 166526527
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526783
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-2-fluoro-N-methyl-4-phenylbenzamide
CID 175362644
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-5,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526638
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526823
4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526848
4-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166525960
4-chloro-3,5-difluoro-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylbenzamide
CID 166526750
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 166526087
5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526476
N-(8-fluoro-9-methyl-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methylindolizine-6-carboxamide
CID 163919840

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 156504510) is N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is CN(C(=O)N1Cc2ccc(C(F)(F)F)cc2C1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is BXJQBHFHVFVEFR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H19F5N4O2/c1-31(22(34)32-9-11-2-3-13(23(26,27)28)4-12(11)10-32)19-8-29-7-18-20(19)14-5-16(24)17(25)6-15(14)21(33)30-18/h2-6,19,29H,7-10H2,1H3,(H,30,33)/t19-/m0/s1.
What are the key properties of N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 478.42 g/mol, XLogP of 4.04, 1 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-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 156504510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).