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

C23H20F2N4O4S — CID 166526087

IUPACN-[(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
SMILESCN(C(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H20F2N4O4S/c1-29(23(31)18-6-11-5-12(34(2,32)33)3-4-17(11)27-18)20-10-26-9-19-21(20)13-7-15(24)16(25)8-14(13)22(30)28-19/h3-8,20,26-27H,9-10H2,1-2H3,(H,28,30)/t20-/m0/s1
InChIKeyQSFBMAXQGAAGOV-FQEVSTJZSA-N
MW486.50 g/mol
LogP2.61
Rot. Bonds3

About 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

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 (PubChem CID 166526087) has the molecular formula C23H20F2N4O4S and a molecular weight of 486.50 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-methylsulfonyl-1H-indole-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-methylsulfonyl-1H-indole-2-carboxamide
PubChem CID166526087
Molecular FormulaC23H20F2N4O4S
Molecular Weight486.50 g/mol
Exact Mass486.12
IUPAC NameN-[(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
SMILESCN(C(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H20F2N4O4S/c1-29(23(31)18-6-11-5-12(34(2,32)33)3-4-17(11)27-18)20-10-26-9-19-21(20)13-7-15(24)16(25)8-14(13)22(30)28-19/h3-8,20,26-27H,9-10H2,1-2H3,(H,28,30)/t20-/m0/s1
InChIKeyQSFBMAXQGAAGOV-FQEVSTJZSA-N
XLogP2.61
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-(8,9-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-(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-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-3,5-difluoro-N-methylbenzamide
CID 166526795
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
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
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-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-[(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-[(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

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-methylsulfonyl-1H-indole-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-methylsulfonyl-1H-indole-2-carboxamide (CID 166526087) is 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.
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-methylsulfonyl-1H-indole-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-methylsulfonyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1)[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-methylsulfonyl-1H-indole-2-carboxamide?
The InChIKey is QSFBMAXQGAAGOV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20F2N4O4S/c1-29(23(31)18-6-11-5-12(34(2,32)33)3-4-17(11)27-18)20-10-26-9-19-21(20)13-7-15(24)16(25)8-14(13)22(30)28-19/h3-8,20,26-27H,9-10H2,1-2H3,(H,28,30)/t20-/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-methylsulfonyl-1H-indole-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-methylsulfonyl-1H-indole-2-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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-methylsulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166526087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).