(5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione

C25H23N3O2 — CID 101161422

IUPAC(5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione
SMILESCCCN1c2cccnc2C(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21
InChIInChI=1S/C25H23N3O2/c1-2-16-27-19-14-9-15-26-22(19)20(17-10-5-3-6-11-17)21-23(27)25(30)28(24(21)29)18-12-7-4-8-13-18/h3-15,20-21,23H,2,16H2,1H3/t20?,21-,23+/m0/s1
InChIKeyXTJAEEIBVHVQEN-CBWCPMJDSA-N
MW397.48 g/mol
LogP4.00
Rot. Bonds4

About (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione

(5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione (PubChem CID 101161422) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione.

Molecular Properties

Compound Name(5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione
PubChem CID101161422
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione
SMILESCCCN1c2cccnc2C(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21
InChIInChI=1S/C25H23N3O2/c1-2-16-27-19-14-9-15-26-22(19)20(17-10-5-3-6-11-17)21-23(27)25(30)28(24(21)29)18-12-7-4-8-13-18/h3-15,20-21,23H,2,16H2,1H3/t20?,21-,23+/m0/s1
InChIKeyXTJAEEIBVHVQEN-CBWCPMJDSA-N
XLogP4.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione 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

(5aR,8aS)-7-phenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione
CID 15307121
2-methyl-1,3,5-triphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15019688
(1R,2R,6S,7S)-8-methyl-4-phenyl-4,8-diazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
CID 11885679
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
(3S,3aS,6aS)-3-(4-butoxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51575353
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(3S,3aS,6aR)-2,3-diphenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 100871738
5-(4-butoxyphenyl)-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3887400
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061
7,14-bis(4-methoxyphenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5234641
(3aR,4R,7R,7aR)-4,7-diphenyl-2-pyridin-3-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6361795
(2S,6S,7S,9R,13S,14R)-7,14-bis(4-bromophenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 100817543

Frequently Asked Questions

What is the IUPAC name of (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione?
The IUPAC name of (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione (CID 101161422) is (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione.
What is the SMILES notation for (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione?
The canonical SMILES for (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione is CCCN1c2cccnc2C(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21.
What is the InChIKey of (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione?
The InChIKey is XTJAEEIBVHVQEN-CBWCPMJDSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-16-27-19-14-9-15-26-22(19)20(17-10-5-3-6-11-17)21-23(27)25(30)28(24(21)29)18-12-7-4-8-13-18/h3-15,20-21,23H,2,16H2,1H3/t20?,21-,23+/m0/s1.
What are the key properties of (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione?
(5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione has a molecular weight of 397.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,8aS)-7,9-diphenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione is sourced from PubChem (CID 101161422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).