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

C24H22F2N4O3 — CID 166526267

IUPACN-[(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
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CN(CCO)Cc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C24H22F2N4O3/c1-29(24(33)19-8-13-4-2-3-5-18(13)27-19)21-12-30(6-7-31)11-20-22(21)14-9-16(25)17(26)10-15(14)23(32)28-20/h2-5,8-10,21,27,31H,6-7,11-12H2,1H3,(H,28,32)/t21-/m0/s1
InChIKeyGXWDVLQSKBTNLG-NRFANRHFSA-N
MW452.46 g/mol
LogP2.91
Rot. Bonds4

About 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

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 (PubChem CID 166526267) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID166526267
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC NameN-[(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
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CN(CCO)Cc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C24H22F2N4O3/c1-29(24(33)19-8-13-4-2-3-5-18(13)27-19)21-12-30(6-7-31)11-20-22(21)14-9-16(25)17(26)10-15(14)23(32)28-20/h2-5,8-10,21,27,31H,6-7,11-12H2,1H3,(H,28,32)/t21-/m0/s1
InChIKeyGXWDVLQSKBTNLG-NRFANRHFSA-N
XLogP2.91
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525865
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]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526733
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
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
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-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 166526220
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CN(CCO)Cc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of 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?
The InChIKey is GXWDVLQSKBTNLG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-29(24(33)19-8-13-4-2-3-5-18(13)27-19)21-12-30(6-7-31)11-20-22(21)14-9-16(25)17(26)10-15(14)23(32)28-20/h2-5,8-10,21,27,31H,6-7,11-12H2,1H3,(H,28,32)/t21-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 452.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166526267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).