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

C24H23FN4O3 — CID 166526179

IUPACN-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CN(CCO)Cc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C24H23FN4O3/c1-28(24(32)19-10-14-4-2-3-5-18(14)26-19)21-13-29(8-9-30)12-20-22(21)16-7-6-15(25)11-17(16)23(31)27-20/h2-7,10-11,21,26,30H,8-9,12-13H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyMIFKPLMFONNFPX-NRFANRHFSA-N
MW434.47 g/mol
LogP2.77
Rot. Bonds4

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

N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166526179) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
PubChem CID166526179
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CN(CCO)Cc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C24H23FN4O3/c1-28(24(32)19-10-14-4-2-3-5-18(14)26-19)21-13-29(8-9-30)12-20-22(21)16-7-6-15(25)11-17(16)23(31)27-20/h2-7,10-11,21,26,30H,8-9,12-13H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyMIFKPLMFONNFPX-NRFANRHFSA-N
XLogP2.77
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(1R)-8,9-difluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526267
N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525865
3-(3-cyano-4-fluorophenyl)-1-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-1-methylurea
CID 156504688
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
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
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
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
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
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]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526733
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
4-chloro-6-fluoro-N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526574

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide (CID 166526179) is N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CN(CCO)Cc2[nH]c(=O)c3cc(F)ccc3c21.
What is the InChIKey of N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is MIFKPLMFONNFPX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-28(24(32)19-10-14-4-2-3-5-18(14)26-19)21-13-29(8-9-30)12-20-22(21)16-7-6-15(25)11-17(16)23(31)27-20/h2-7,10-11,21,26,30H,8-9,12-13H2,1H3,(H,27,31)/t21-/m0/s1.
What are the key properties of N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166526179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).