(5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine

C24H23FN4O3 — CID 145075080

IUPAC(5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine
SMILESCOc1cc(F)c([N+](=O)[O-])cc1N/C1=N/C=C\C(c2cn(C)c3ccccc23)=C/CC1C
InChIInChI=1S/C24H23FN4O3/c1-15-8-9-16(18-14-28(2)21-7-5-4-6-17(18)21)10-11-26-24(15)27-20-13-22(29(30)31)19(25)12-23(20)32-3/h4-7,9-15H,8H2,1-3H3,(H,26,27)/b11-10-,16-9+
InChIKeyQODKGYBULAUHKX-VSJGXKGZSA-N
MW434.47 g/mol
LogP5.68
Rot. Bonds4

About (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine

(5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine (PubChem CID 145075080) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine.

Molecular Properties

Compound Name(5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine
PubChem CID145075080
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name(5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine
SMILESCOc1cc(F)c([N+](=O)[O-])cc1N/C1=N/C=C\C(c2cn(C)c3ccccc23)=C/CC1C
InChIInChI=1S/C24H23FN4O3/c1-15-8-9-16(18-14-28(2)21-7-5-4-6-17(18)21)10-11-26-24(15)27-20-13-22(29(30)31)19(25)12-23(20)32-3/h4-7,9-15H,8H2,1-3H3,(H,26,27)/b11-10-,16-9+
InChIKeyQODKGYBULAUHKX-VSJGXKGZSA-N
XLogP5.68
TPSA81.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine 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-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine;hydrochloride
CID 118704809
5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 71239282
4-bromo-2-methoxy-5-nitroaniline;3-(2-chloropyrimidin-4-yl)-1-methylindole;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 159220544
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(5-methoxy-1,6-dimethylindol-3-yl)-1,3,5-triazin-2-amine
CID 163918666
methyl 4-(1-cyclopropylindol-3-yl)-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidine-5-carboxylate
CID 118618290
2-(4-fluoro-2-methoxy-5-nitroanilino)-4-(1-methylindazol-3-yl)pyrimidine-5-carbonitrile
CID 130217886
N-(2-methoxy-5-nitro-4-piperazin-1-ylphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 156788089
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine
CID 130412923
5-chloro-3-(4-chloro-1,3,5-triazin-2-yl)-1-methylindole;4-(5-chloro-1-methylindol-3-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;4-fluoro-2-methoxy-5-nitroaniline;methane
CID 165087595
4-N-(4-aminobutyl)-2-methoxy-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
CID 156788101
2-N-(4-fluoro-3-nitrophenyl)-5-methoxy-6-(1-methylindol-3-yl)pyrimidine-2,4-diamine
CID 166477949
2-(4-fluoro-2-methoxy-5-nitroanilino)-4-(9-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)pyrimidine-5-carbonitrile;methane
CID 157267991

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine?
The IUPAC name of (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine (CID 145075080) is (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine.
What is the SMILES notation for (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine?
The canonical SMILES for (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine is COc1cc(F)c([N+](=O)[O-])cc1N/C1=N/C=C\C(c2cn(C)c3ccccc23)=C/CC1C.
What is the InChIKey of (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine?
The InChIKey is QODKGYBULAUHKX-VSJGXKGZSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15-8-9-16(18-14-28(2)21-7-5-4-6-17(18)21)10-11-26-24(15)27-20-13-22(29(30)31)19(25)12-23(20)32-3/h4-7,9-15H,8H2,1-3H3,(H,26,27)/b11-10-,16-9+.
What are the key properties of (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine?
(5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine has a molecular weight of 434.47 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-3-methyl-6-(1-methylindol-3-yl)-3,4-dihydroazocin-2-amine is sourced from PubChem (CID 145075080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).