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

C23H17F5N4O2 — CID 166525960

IUPAC4-(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
SMILESCN(C(=O)c1cc2c(C(F)F)cc(F)cc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H17F5N4O2/c1-32(23(34)17-6-10-12(21(27)28)2-9(24)3-16(10)30-17)19-8-29-7-18-20(19)11-4-14(25)15(26)5-13(11)22(33)31-18/h2-6,19,21,29-30H,7-8H2,1H3,(H,31,33)/t19-/m0/s1
InChIKeyDHZVYQSVDGCRDY-IBGZPJMESA-N
MW476.41 g/mol
LogP4.28
Rot. Bonds3

About 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

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 (PubChem CID 166525960) has the molecular formula C23H17F5N4O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID166525960
Molecular FormulaC23H17F5N4O2
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC Name4-(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
SMILESCN(C(=O)c1cc2c(C(F)F)cc(F)cc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H17F5N4O2/c1-32(23(34)17-6-10-12(21(27)28)2-9(24)3-16(10)30-17)19-8-29-7-18-20(19)11-4-14(25)15(26)5-13(11)22(33)31-18/h2-6,19,21,29-30H,7-8H2,1H3,(H,31,33)/t19-/m0/s1
InChIKeyDHZVYQSVDGCRDY-IBGZPJMESA-N
XLogP4.28
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 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 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)-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 166526783
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
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-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525893
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-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)-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
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-[(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
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
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)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2c(C(F)F)cc(F)cc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of 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?
The InChIKey is DHZVYQSVDGCRDY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H17F5N4O2/c1-32(23(34)17-6-10-12(21(27)28)2-9(24)3-16(10)30-17)19-8-29-7-18-20(19)11-4-14(25)15(26)5-13(11)22(33)31-18/h2-6,19,21,29-30H,7-8H2,1H3,(H,31,33)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 476.41 g/mol, XLogP of 4.28, 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)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166525960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).