(4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione

C23H23FN2O3 — CID 177356773

IUPAC(4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione
SMILESCc1c(F)cc(N)c2c1CCC/C2=C1/Cc2cc3c(c(=O)n2C1)COC(=O)[C@H]3C
InChIInChI=1S/C23H23FN2O3/c1-11-15-4-3-5-16(21(15)20(25)8-19(11)24)13-6-14-7-17-12(2)23(28)29-10-18(17)22(27)26(14)9-13/h7-8,12H,3-6,9-10,25H2,1-2H3/b16-13+/t12-/m0/s1
InChIKeyGATXOYGFEBRFMN-UJUPCEQOSA-N
MW394.45 g/mol
LogP3.38
Rot. Bonds

About (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione

(4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione (PubChem CID 177356773) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione.

Molecular Properties

Compound Name(4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione
PubChem CID177356773
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name(4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione
SMILESCc1c(F)cc(N)c2c1CCC/C2=C1/Cc2cc3c(c(=O)n2C1)COC(=O)[C@H]3C
InChIInChI=1S/C23H23FN2O3/c1-11-15-4-3-5-16(21(15)20(25)8-19(11)24)13-6-14-7-17-12(2)23(28)29-10-18(17)22(27)26(14)9-13/h7-8,12H,3-6,9-10,25H2,1-2H3/b16-13+/t12-/m0/s1
InChIKeyGATXOYGFEBRFMN-UJUPCEQOSA-N
XLogP3.38
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione?
The IUPAC name of (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione (CID 177356773) is (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione.
What is the SMILES notation for (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione?
The canonical SMILES for (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione is Cc1c(F)cc(N)c2c1CCC/C2=C1/Cc2cc3c(c(=O)n2C1)COC(=O)[C@H]3C.
What is the InChIKey of (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione?
The InChIKey is GATXOYGFEBRFMN-UJUPCEQOSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-11-15-4-3-5-16(21(15)20(25)8-19(11)24)13-6-14-7-17-12(2)23(28)29-10-18(17)22(27)26(14)9-13/h7-8,12H,3-6,9-10,25H2,1-2H3/b16-13+/t12-/m0/s1.
What are the key properties of (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione?
(4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione has a molecular weight of 394.45 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7E)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-4-methyl-1,4,6,8-tetrahydropyrano[3,4-f]indolizine-3,10-dione is sourced from PubChem (CID 177356773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).