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

C22H17F3N4O2 — CID 171750638

IUPACN-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide
SMILESCN(C(=O)C1=NC2C=CC=C(F)C2=C1)C1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C22H17F3N4O2/c1-29(22(31)17-7-12-13(23)3-2-4-16(12)27-17)19-9-26-8-18-20(19)10-5-14(24)15(25)6-11(10)21(30)28-18/h2-7,16,19,26H,8-9H2,1H3,(H,28,30)
InChIKeyCFYBKXZJZWFLDY-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.58
Rot. Bonds2

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

N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide (PubChem CID 171750638) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide.

Molecular Properties

Compound NameN-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide
PubChem CID171750638
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide
SMILESCN(C(=O)C1=NC2C=CC=C(F)C2=C1)C1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C22H17F3N4O2/c1-29(22(31)17-7-12-13(23)3-2-4-16(12)27-17)19-9-26-8-18-20(19)10-5-14(24)15(25)6-11(10)21(30)28-18/h2-7,16,19,26H,8-9H2,1H3,(H,28,30)
InChIKeyCFYBKXZJZWFLDY-UHFFFAOYSA-N
XLogP2.58
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide with MolForge

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Related Compounds

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
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-(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)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 166526527
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]-8-fluoro-N-methylindolizine-2-carboxamide
CID 166526823
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-(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
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
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 N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide?
The IUPAC name of N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide (CID 171750638) is N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide.
What is the SMILES notation for N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide?
The canonical SMILES for N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide is CN(C(=O)C1=NC2C=CC=C(F)C2=C1)C1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide?
The InChIKey is CFYBKXZJZWFLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29(22(31)17-7-12-13(23)3-2-4-16(12)27-17)19-9-26-8-18-20(19)10-5-14(24)15(25)6-11(10)21(30)28-18/h2-7,16,19,26H,8-9H2,1H3,(H,28,30).
What are the key properties of N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide?
N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-4-fluoro-N-methyl-7aH-indole-2-carboxamide is sourced from PubChem (CID 171750638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).