4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide

C23H19F3N4O2 — CID 166525893

IUPAC4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(C(F)F)cccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C23H19F3N4O2/c1-30(23(32)17-8-14-13(21(25)26)3-2-4-16(14)28-17)19-10-27-9-18-20(19)12-6-5-11(24)7-15(12)22(31)29-18/h2-8,19,21,27-28H,9-10H2,1H3,(H,29,31)/t19-/m0/s1
InChIKeyFGQCEQCNUOABQI-IBGZPJMESA-N
MW440.43 g/mol
LogP4.00
Rot. Bonds3

About 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide

4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166525893) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
PubChem CID166525893
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(C(F)F)cccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C23H19F3N4O2/c1-30(23(32)17-8-14-13(21(25)26)3-2-4-16(14)28-17)19-10-27-9-18-20(19)12-6-5-11(24)7-15(12)22(31)29-18/h2-8,19,21,27-28H,9-10H2,1H3,(H,29,31)/t19-/m0/s1
InChIKeyFGQCEQCNUOABQI-IBGZPJMESA-N
XLogP4.00
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

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
6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide
CID 175614781
4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide
CID 166525939
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)-6-fluoro-N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-1H-indole-2-carboxamide
CID 166526623
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
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-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N,4-dimethyl-1H-indole-2-carboxamide
CID 166526652
N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525865
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
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
8-(difluoromethyl)-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methylindolizine-2-carboxamide
CID 166526061

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide (CID 166525893) is 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2c(C(F)F)cccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)ccc3c21.
What is the InChIKey of 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is FGQCEQCNUOABQI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-30(23(32)17-8-14-13(21(25)26)3-2-4-16(14)28-17)19-10-27-9-18-20(19)12-6-5-11(24)7-15(12)22(31)29-18/h2-8,19,21,27-28H,9-10H2,1H3,(H,29,31)/t19-/m0/s1.
What are the key properties of 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).